SCHEMBL7609618

SCHEMBL7609618

COc1cc2c(cc1Cl)CC(C)=NN=C2c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.43
MAOB P27338 1/20 0.43
MAPK10 P53779 6/20 0.43
MAPT P10636 4/20 0.41
ALDH1A1 P00352 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NFKB1 P19838 1/20 0.41
GRIA2 P42262 1/20 0.41
HIF1A Q16665 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 3/20 0.40
HTT P42858 2/20 0.39
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39

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
SCHEMBL10886471 0.92 APP (0.51) APPMAOBMAPTALDH1A1CYP1A2
SCHEMBL6935103 0.90 MAPT (0.44) MAPTALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL7606361 0.89 APP (0.43) APPMAOBMAPTALDH1A1CYP1A2
SCHEMBL6290909 0.88 HTT (0.50) APPMAOBMAPTALDH1A1CYP1A2
SCHEMBL10884505 0.84 MAPT (0.47) APPMAOBMAPTALDH1A1CYP1A2
SCHEMBL7615727 0.84 CYP1A2 (0.58) MAPK10MAPTALDH1A1CYP1A2CYP3A4
SCHEMBL6935668 0.84 MAPT (0.44) MAPTALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL6933786 0.84 PSD (0.44) MAPTALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL16913325 0.81 MAPK10 (0.50) MAPK10MAPTALDH1A1CYP1A2CYP3A4
SCHEMBL7607849 0.81 CYP1A2 (0.61) APPMAOBMAPK10MAPTCYP1A2

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