BIA 10-2474 is not that similar to synthetic cannabinoids and comparison to another FAAH compound

**UPDATE As of 21st Jan 2016 please note the actual structure of BIA 10-2474 changed to this.

Lauren commented on an earlier post about synthetic cannabinoid toxicities and stroke potential. I took the structure of BIA 10-2474 and looked at the similarity to  a virtual library of synthetic cannabinoids which Matthew Krasowski and I had published on in 2014. When I compare this compound to another previous FAAH clinical compound from J&J JNJ-42165279  based on MDL fingerprints and Tanimoto similarity, the latter compound has a slightly higher maximal similarity (0.66 vs 0.62)  to compounds in this library (see second table below). I am just showing the top 34 compounds for clarity. These similarity values are not that high (1 would be identical) so perhaps comparison to synthetic cannabinoids and their potential toxicity issues is a bit of a stretch.

For comparison to earlier predictions I have now run the same J&J compound through some of the predictive tools used previously to suggest targets / off targets..Unlike with BIA 10-2474 FAAH1 is right at the top of the list with SEA and Swiss target prediction  sites. BIA 10-2474 had very different target rankings in both SEA and Swiss Target prediction and also stood out in our first analysis which drove this analysis initially. These in silico target predictions point to a different target profile for BIA 10-2474 when compared to the J&J compound. This could obviously get quite complex if we start predicting possible metabolites as well.

10-2474 similarity to cannabinoidsJnJ cpd similarity to cannabinoids

JnJ cpd in SEAJNJ with Swiss target pred

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