SCHEMBL8205886

SCHEMBL8205886

NC(=O)c1ccccc1-c1cccc2c1CCNCC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRCP P42785 1/20 0.44
BCAT2 O15382 1/20 0.44
HTR2C P28335 1/20 0.43
PARP1 P09874 5/20 0.42
HTR7 P34969 1/20 0.42
HTR2B P41595 1/20 0.42
AURKA O14965 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
CSNK1A1 P48729 1/20 0.39
TYRO3 Q06418 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
TRPA1 O75762 1/20 0.38
NUDT1 P36639 1/20 0.38
PARP2 Q9UGN5 2/20 0.37

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
SCHEMBL8206364 0.90 PRCP (0.57) PRCPBCAT2PARP1HTR7HTR2B
SCHEMBL8207047 0.90 CD44 (0.50) PRCPBCAT2PARP1HTR7HTR2B
SCHEMBL30341769 0.83 BCAT2 (0.47) BCAT2PARP1HTR7HTR2BAURKA
SCHEMBL17559798 0.79 PRCP (0.51) PRCPCD44PNMT
SCHEMBL8206404 0.79 BCAT2 (0.46) PRCPBCAT2PARP1HTR7HTR2B
SCHEMBL15569496 0.78 PNMT (0.53) PRCPPARP1AURKAPARP2PARP3
SCHEMBL29800858 0.78 PNMT (0.53) PRCPPARP1AURKAPARP2PARP3
SCHEMBL28215361 0.78 BCAT2 (0.45) BCAT2PARP1HTR7HTR2BAURKA
Hydrochloric Acid SCHEMBL2494227 0.77 PNMT (0.51) PRCPPARP1AURKAPARP2PARP3
SCHEMBL14863764 0.76 PARP1 (0.44) PRCPHTR2CPARP1AURKAALOX15

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 3 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
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