SCHEMBL4017197

SCHEMBL4017197

c1ccc2ncc(Nc3nccc4c3CCN(Cc3ccc5[nH]ccc5c3)C4)cc2c1

nearest known ligand 0.75

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FAAH O00519 12/20 0.75
SSTR5 P35346 1/20 0.41
GRM4 Q14833 1/20 0.39
HTR1A P08908 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
ABCB1 P08183 1/20 0.39
PRKD1 Q15139 1/20 0.38
EGFR P00533 1/20 0.38
FLT1 P17948 1/20 0.38
ROCK2 O75116 1/20 0.38
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL4012753 0.92 FAAH (0.75) FAAHGRM4ABCB1PRKD1
SCHEMBL3933752 0.88 FAAH (0.89) FAAHMEN1NPC1RAB9AKMT2A
SCHEMBL3936220 0.86 FAAH (1.00) FAAHMEN1NPC1RAB9AKMT2A
SCHEMBL3935112 0.85 FAAH (0.87) FAAHABCB1MEN1NPC1RAB9A
SCHEMBL3933423 0.85 FAAH (0.87) FAAHMEN1NPC1RAB9AKMT2A
SCHEMBL3941489 0.84 FAAH (0.83) FAAHMEN1NPC1RAB9AKMT2A
SCHEMBL3941505 0.84 FAAH (0.80) FAAHABCB1MEN1NPC1RAB9A
SCHEMBL4014452 0.84 FAAH (0.68) FAAHGRM4NPC1RAB9A
SCHEMBL3935343 0.84 FAAH (0.89) FAAHABCB1FLT1MEN1NPC1
SCHEMBL3935920 0.83 FAAH (0.86) FAAHMEN1NPC1RAB9AKMT2A

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-2009011904-A1 COMPOUNDS USEFUL AS FAAH MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2009-01-22 WO disclosed