SCHEMBL7831263

SCHEMBL7831263

O=c1[nH]c2cc(OCCCN3CCN(Cc4ccccc4)CC3)ccc2c(=O)c2[nH]nnc12

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.52
BCHE P06276 5/20 0.52
MAOB P27338 9/20 0.49
MAOA P21397 6/20 0.49
APP P05067 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL8071910 0.89 ACHE (0.53) ACHEBCHEMAOBMAOAHRH3
SCHEMBL8068050 0.88 XDH (0.48) MAOAHRH3KDM4E
SCHEMBL7827131 0.88 PARP1 (0.50) ACHEBCHEMAOBMAOAHRH3
SCHEMBL8067124 0.86 MAOA (0.52) ACHEMAOAHRH3KDM4EALDH1A1
SCHEMBL7816229 0.85 MAOA (0.47) MAOBMAOA
SCHEMBL7827564 0.84 MAOA (0.47) MAOBMAOA
SCHEMBL7824605 0.84 CTSV (0.43) MAOA
Trifluoroacetic Acid SCHEMBL8057460 0.84 ACHE (0.48) ACHEBCHEMAOBMAOA
Trifluoroacetic Acid SCHEMBL8067000 0.83 XDH (0.44) HRH3KDM4EALDH1A1
SCHEMBL7829082 0.83 CTSV (0.44) MAOAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0686636-B1 TRICYCLIC BENZAZEPINE AND BENZOTHIAZEPINE DERIVATIVES MEIJI SEIKA CO (JP) 2001-04-04 EP disclosed
EP-0686636-A1 TRICYCLIC BENZAZEPINE AND BENZOTHIAZEPINE DERIVATIVES MEIJI SEIKA KABUSHIKI KAISHA (JP) 1995-12-13 EP disclosed