SCHEMBL4016142

SCHEMBL4016142

COC(=O)c1ccc(S(=O)(=O)N2CCc3c(ccnc3Nc3cnc4ccccc4c3)C2)o1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FAAH O00519 10/20 0.67
TSHR P16473 2/20 0.43
ALPL P05186 1/20 0.37
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
IGF1R P08069 2/20 0.36
EPHX2 P34913 1/20 0.36
BRAF P15056 1/20 0.36
EIF2AK3 Q9NZJ5 1/20 0.36

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
SCHEMBL4011830 0.88 FAAH (0.65) FAAHTSHRALPLALDH1A1LMNA
SCHEMBL4014998 0.85 FAAH (0.70) FAAHTSHRALPLALDH1A1KDM4E
SCHEMBL4019611 0.85 FAAH (0.65) FAAHTSHRALPLALDH1A1LMNA
SCHEMBL3940444 0.83 FAAH (0.75) FAAHALDH1A1LMNAMAPK1HTT
SCHEMBL3935378 0.83 FAAH (0.77) FAAHALDH1A1LMNAMAPK1HTT
SCHEMBL2461825 0.83 TSHR (0.44) FAAHTSHRALPLALDH1A1LMNA
SCHEMBL4012470 0.82 FAAH (0.78) FAAHTSHRALPLALDH1A1LMNA
SCHEMBL3945032 0.82 FAAH (0.82) FAAHTSHRALPLALDH1A1LMNA
SCHEMBL4007889 0.82 FAAH (0.67) FAAHTSHRALPLALDH1A1LMNA
SCHEMBL3929062 0.81 FAAH (0.75) FAAHALPLLMNA

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