SCHEMBL4017533

SCHEMBL4017533

c1ccc2ncc(Nc3nccc4c3CCN(CCc3ccc5[nH]ncc5c3)C4)cc2c1

nearest known ligand 0.75

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FAAH O00519 11/20 0.75
ABCB1 P08183 5/20 0.44
ABCG2 Q9UNQ0 5/20 0.44
GRM4 Q14833 1/20 0.40
ROCK2 O75116 1/20 0.39
GRIN2B Q13224 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
SCHEMBL4012753 0.89 FAAH (0.75) FAAHABCB1ABCG2GRM4
SCHEMBL3937615 0.86 FAAH (1.00) FAAHABCB1ABCG2
SCHEMBL3933591 0.86 FAAH (0.88) FAAHABCB1ABCG2
SCHEMBL3941332 0.86 FAAH (0.88) FAAHABCB1ABCG2
SCHEMBL4013784 0.85 FAAH (1.00) FAAHABCB1ABCG2
SCHEMBL4017289 0.83 FAAH (0.60) FAAHGRM4ROCK2GRIN2B
SCHEMBL3933100 0.83 FAAH (0.82) FAAHABCB1ABCG2
SCHEMBL4012669 0.81 FAAH (0.79) FAAHABCB1ABCG2
SCHEMBL3933752 0.81 FAAH (0.89) FAAH
SCHEMBL4025694 0.81 FAAH (0.78) FAAHABCB1ABCG2

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