SCHEMBL4011830

SCHEMBL4011830

COC(=O)c1cc(S(=O)(=O)N2CCc3c(ccnc3Nc3cnc4ccccc4c3)C2)oc1C

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 10/20 0.65
EPHX2 P34913 1/20 0.36
BRAF P15056 1/20 0.36
EIF2AK3 Q9NZJ5 1/20 0.36
ALPL P05186 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPK1 P28482 2/20 0.35
TNF P01375 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
KDM4E B2RXH2 2/20 0.35
NPC1 O15118 2/20 0.35
HSD17B10 Q99714 2/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LIPG Q9Y5X9 1/20 0.35
EDNRA P25101 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL4016142 0.88 FAAH (0.67) FAAHEPHX2BRAFEIF2AK3ALPL
SCHEMBL4014998 0.87 FAAH (0.70) FAAHEPHX2ALPLALDH1A1KDM4E
SCHEMBL4019611 0.87 FAAH (0.65) FAAHEPHX2BRAFEIF2AK3ALPL
SCHEMBL3940444 0.83 FAAH (0.75) FAAHALDH1A1MAPK1LMNAHTT
SCHEMBL2454958 0.83 FAAH (0.43) FAAHEPHX2BRAFEIF2AK3ALPL
SCHEMBL4012470 0.83 FAAH (0.78) FAAHEPHX2ALPLALDH1A1LMNA
SCHEMBL4007889 0.82 FAAH (0.67) FAAHEPHX2ALPLALDH1A1MAPK1
SCHEMBL3931250 0.82 FAAH (0.74) FAAHEPHX2ALPLALDH1A1MAPK1
SCHEMBL3935378 0.82 FAAH (0.77) FAAHALDH1A1MAPK1TNFLMNA
SCHEMBL3940445 0.81 FAAH (0.84) FAAHEPHX2ALPLALDH1A1MAPK1

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