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SCHEMBL3933100

SCHEMBL3933100

COc1ccc(CCN2CCc3c(ccnc3Nc3cnc4ccccc4c3)C2)cc1

nearest known ligand 0.82

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 10/20 0.82
▸ ABCG2 Q9UNQ0 9/20 0.51
▸ ABCB1 P08183 5/20 0.51
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2C8 P10632 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ ABCC1 P33527 1/20 0.47
▸ IGF1R P08069 1/20 0.46

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
SCHEMBL3937615 0.90 FAAH (1.00) FAAHABCG2ABCB1CYP1A2CYP2C8
SCHEMBL3933591 0.90 FAAH (0.88) FAAHABCG2ABCB1CYP1A2CYP2C8
SCHEMBL3941332 0.90 FAAH (0.88) FAAHABCG2ABCB1CYP1A2CYP2C8
SCHEMBL4013784 0.89 FAAH (1.00) FAAHABCG2ABCB1CYP1A2CYP2C8
SCHEMBL4025694 0.86 FAAH (0.78) FAAHABCG2ABCB1CYP1A2CYP2C8
SCHEMBL3935486 0.83 FAAH (0.77) FAAHABCG2ABCB1IGF1R
SCHEMBL4013961 0.83 FAAH (0.58) FAAHIGF1R
SCHEMBL4012669 0.83 FAAH (0.79) FAAHABCG2ABCB1IGF1R
SCHEMBL4012753 0.83 FAAH (0.75) FAAHABCG2ABCB1CYP1A2CYP2C8
SCHEMBL4017533 0.83 FAAH (0.75) FAAHABCG2ABCB1

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