SCHEMBL7604277

SCHEMBL7604277

COc1cc2c(cc1Br)CC(C)NN=C2c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
CYP1A2 P05177 3/20 0.43
CYP3A4 P08684 3/20 0.43
CYP2C9 P11712 3/20 0.43
CYP2C19 P33261 3/20 0.43
MAPK1 P28482 2/20 0.43
LMNA P02545 2/20 0.43
CYP2D6 P10635 2/20 0.43
ALOX15 P16050 1/20 0.43
NFKB1 P19838 1/20 0.43
HIF1A Q16665 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43
KMT2A Q03164 1/20 0.43
PDE4B Q07343 2/20 0.41
AMY1A P0DUB6 1/20 0.40
PNMT P11086 3/20 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
SCHEMBL7610412 0.83 CYP1A2 (0.46) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL6937483 0.83 MAPT (0.45) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL6936559 0.81 MAPT (0.47) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7228098 0.81 CYP1A2 (0.62) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL15569519 0.80 CYP1A2 (0.50) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4971613 0.79 MEN1 (0.44) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7234076 0.79 CYP1A2 (0.49) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL5416313 0.79 MAPT (0.71) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL5416306 0.79 MAPT (0.71) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL6936506 0.78 MAPT (0.44) MAPTCYP1A2CYP3A4CYP2C9CYP2C19

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
EP-0888313-B1 2,3-BENZODIAZEPINE DERIVATIVES AND THEIR USE AS AMPA-RECEPTOR INHIBITORS SCHERING AG (DE) 2002-04-17 EP disclosed
US-6200970-B1 FOR TREATING A DISEASE ASSOCIATED WITH OVERSTIMULATION OF AN AMPA RECEPTOR, OR HYPERACTIVITY OF AN EXCITATORY AMINO ACID SCHERING AKTIENGESELLSCHAFT (DE) 2001-03-13 US disclosed
EP-0888313-A1 2,3-BENZODIAZEPINE DERIVATIVES AND THEIR USE AS AMPA-RECEPTOR INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 1999-01-07 EP disclosed
WO-1997028135-A1 2,3-BENZODIAZEPINE DERIVATIVES AND THEIR USE AS AMPA-RECEPTOR INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 1997-08-07 WO disclosed