SCHEMBL4014998

SCHEMBL4014998

COC(=O)c1ccccc1S(=O)(=O)N1CCc2c(ccnc2Nc2cnc3ccccc3c2)C1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAAH O00519 10/20 0.70
FNTA P49354 2/20 0.43
FNTB P49356 2/20 0.43
HSD17B10 Q99714 2/20 0.42
ALDH1A1 P00352 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
EPHX2 P34913 1/20 0.40
ALPL P05186 1/20 0.40
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL3929062 0.88 FAAH (0.75) FAAHALPLSMN1; SMN2
SCHEMBL4012470 0.88 FAAH (0.78) FAAHHSD17B10ALDH1A1EPHX2ALPL
SCHEMBL4011830 0.87 FAAH (0.65) FAAHHSD17B10ALDH1A1EPHX2ALPL
SCHEMBL3931443 0.87 FAAH (0.77) FAAHALDH1A1EPHX2ALPLKDM4E
SCHEMBL3936894 0.87 FAAH (0.79) FAAHALDH1A1EPHX2ALPLKDM4E
SCHEMBL4007889 0.85 FAAH (0.67) FAAHHSD17B10ALDH1A1EPHX2ALPL
SCHEMBL4016142 0.85 FAAH (0.67) FAAHHSD17B10ALDH1A1EPHX2ALPL
SCHEMBL3933996 0.85 FAAH (0.67) FAAHALPLMAPTSMN1; SMN2
SCHEMBL4018033 0.85 FAAH (0.65) FAAHHSD17B10ALDH1A1EPHX2ALPL
SCHEMBL3934364 0.85 FAAH (0.77) FAAHFNTAFNTBALDH1A1EPHX2

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