SCHEMBL3474933

SCHEMBL3474933

COc1ccc(-c2ccc3oc(NC4CCCCC4)nc3c2)cc1C#N

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FAAH O00519 8/20 0.74
PIK3CA P42336 1/20 0.48
HDAC6 Q9UBN7 1/20 0.47
SSTR5 P35346 4/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
NSD2 O96028 1/20 0.43
RPS6KA2 Q15349 1/20 0.43
HCRTR1 O43613 1/20 0.42
SSTR1 P30872 1/20 0.41
HRH1 P35367 1/20 0.41

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
SCHEMBL3476698 0.85 FAAH (1.00) FAAHPIK3CAHDAC6SSTR5RPS6KA2
SCHEMBL13436720 0.84 FAAH (0.78) FAAHPIK3CAHDAC6SSTR5RPS6KA2
SCHEMBL3476570 0.84 FAAH (1.00) FAAHPIK3CAHDAC6SSTR5
SCHEMBL3476876 0.83 FAAH (0.77) FAAHPIK3CAHDAC6SSTR5MAPT
SCHEMBL3477435 0.82 FAAH (0.75) FAAHPIK3CAHDAC6SSTR5GAA
SCHEMBL3476959 0.82 FAAH (0.74) FAAHPIK3CAHDAC6SSTR5RPS6KA2
SCHEMBL3476435 0.82 FAAH (0.74) FAAHSSTR5SSTR1HRH1
SCHEMBL3476299 0.81 FAAH (0.73) FAAHPIK3CAHDAC6SSTR5RPS6KA2
SCHEMBL3476787 0.81 FAAH (0.72) FAAHPIK3CAHDAC6SSTR5RPS6KA2
SCHEMBL3474437 0.80 FAAH (0.71) 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