SCHEMBL4019524

SCHEMBL4019524

O=C(O)N1CCC(CN2CCc3c(ccnc3Nc3cnc4ccccc4c3)C2)CC1

nearest known ligand 0.78

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FAAH O00519 12/20 0.78
THRB P10828 1/20 0.41
KDM2B Q8NHM5 1/20 0.40
GAA P10253 1/20 0.39
TP53 P04637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
ABCB1 P08183 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38

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
SCHEMBL3939849 0.89 FAAH (0.98) FAAHKDM2B
SCHEMBL4014996 0.88 FAAH (0.70) FAAHTHRBGAAKDM4E
SCHEMBL3936930 0.88 FAAH (1.00) FAAHKDM2BTP53KDM4ENPC1
SCHEMBL3932151 0.86 FAAH (0.83) FAAHKDM2B
SCHEMBL3933967 0.86 FAAH (0.83) FAAHKDM4ENPC1SMN1; SMN2HSD17B10
SCHEMBL4012253 0.85 FAAH (0.68) FAAHTP53KDM4ENPC1RAB9A
SCHEMBL4012669 0.80 FAAH (0.79) FAAHABCB1ABCG2
SCHEMBL3936220 0.80 FAAH (1.00) FAAHTP53NPC1RAB9AMAPT
SCHEMBL3929528 0.80 FAAH (0.85) FAAHABCB1ABCG2
SCHEMBL4017519 0.79 FAAH (0.76) 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