SCHEMBL8206364

SCHEMBL8206364

NC(=O)c1ccccc1-c1cccc2c1CNCC2

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRCP P42785 1/20 0.57
PNMT P11086 3/20 0.46
BCAT2 O15382 1/20 0.42
AURKA O14965 1/20 0.42
CD44 P16070 1/20 0.42
MAOB P27338 1/20 0.42
PARP1 P09874 4/20 0.41
PARP2 Q9UGN5 3/20 0.41
PARP3 Q9Y6F1 2/20 0.41
HTR7 P34969 1/20 0.41
HTR2B P41595 1/20 0.41
BTK Q06187 1/20 0.40

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
SCHEMBL8205886 0.90 PRCP (0.44) PRCPPNMTBCAT2AURKACD44
SCHEMBL8207047 0.89 CD44 (0.50) PRCPPNMTBCAT2AURKACD44
SCHEMBL8206404 0.87 BCAT2 (0.46) PRCPBCAT2AURKAPARP1HTR7
SCHEMBL29800858 0.86 PNMT (0.53) PRCPPNMTAURKACD44MAOB
SCHEMBL15569496 0.86 PNMT (0.53) PRCPPNMTAURKACD44MAOB
Hydrochloric Acid SCHEMBL2494227 0.85 PNMT (0.51) PRCPPNMTAURKACD44MAOB
SCHEMBL30341769 0.79 BCAT2 (0.47) BCAT2AURKAMAOBPARP1HTR7
SCHEMBL17559798 0.78 PRCP (0.51) PRCPPNMTCD44MAOB
SCHEMBL30314450 0.77 CD44 (0.57) PNMTAURKACD44MAOBPARP1
SCHEMBL27901033 0.77 CD44 (0.57) PNMTAURKACD44MAOBPARP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6110934-A Substituted benzamide derivatives and their use as anticonvulsants SMITHKLINE BEECHAM P.L.C. (GB) 2000-08-29 US disclosed
CN-1222145-A Substituted benzamide derivatives and their use as anticonvulsants SMITHKLINE BEECHAM PLC (GB) 1999-07-07 CN disclosed
EP-0906283-A1 SUBSTITUTED BENZAMIDE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS SMITHKLINE BEECHAM PLC (GB) 1999-04-07 EP disclosed
WO-1997048683-A1 SUBSTITUTED BENZAMIDE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS SMITHKLINE BEECHAM PLC (GB) 1997-12-24 WO disclosed