SCHEMBL13436724

SCHEMBL13436724

COc1ccc(-c2ccc3oc(NC4CCCCC4)nc3c2)nc1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FAAH O00519 9/20 0.63
PIK3CA P42336 1/20 0.48
HDAC6 Q9UBN7 2/20 0.48
SSTR5 P35346 2/20 0.41
RPS6KA2 Q15349 1/20 0.39
HTR6 P50406 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3476787 0.84 FAAH (0.72) FAAHPIK3CAHDAC6SSTR5RPS6KA2
SCHEMBL3476655 0.81 FAAH (0.69) FAAHPIK3CAHDAC6RPS6KA2
SCHEMBL3477293 0.81 FAAH (0.66) FAAHPIK3CAHDAC6SSTR5RPS6KA2
SCHEMBL3476255 0.80 FAAH (0.62) FAAHPIK3CAHDAC6SSTR5RPS6KA2
SCHEMBL3475486 0.79 FAAH (0.69) FAAHPIK3CAHDAC6SSTR5RPS6KA2
SCHEMBL13436720 0.79 FAAH (0.78) FAAHPIK3CAHDAC6SSTR5RPS6KA2
SCHEMBL3476698 0.78 FAAH (1.00) FAAHPIK3CAHDAC6SSTR5RPS6KA2
SCHEMBL3476876 0.78 FAAH (0.77) FAAHPIK3CAHDAC6SSTR5RPS6KA2
SCHEMBL3476299 0.78 FAAH (0.73) FAAHPIK3CAHDAC6SSTR5RPS6KA2
SCHEMBL3477435 0.77 FAAH (0.75) FAAHPIK3CAHDAC6SSTR5RPS6KA2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010039186-A2 COMPOUNDS USEFUL AS FAAH MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2010-04-08 WO disclosed