SCHEMBL7816229

SCHEMBL7816229

O=c1[nH]c2cc(OCCCc3ccccc3)ccc2c(=O)c2[nH]nnc12

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOA P21397 11/20 0.47
CTSV O60911 2/20 0.46
CTSL P07711 2/20 0.46
MAOB P27338 10/20 0.44
RHEB Q15382 1/20 0.41
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 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
SCHEMBL7827564 0.97 MAOA (0.47) MAOACTSVCTSLMAOBRHEB
SCHEMBL7824605 0.90 CTSV (0.43) MAOACTSVCTSL
SCHEMBL7829082 0.89 CTSV (0.44) MAOACTSVCTSL
SCHEMBL7824749 0.88 CTSV (0.60) MAOACTSVCTSLMAOB
SCHEMBL7832144 0.85 CTSV (0.42) MAOACTSVCTSL
SCHEMBL7831263 0.85 ACHE (0.52) MAOAMAOB
SCHEMBL7823832 0.84 CTSV (0.41) MAOACTSVCTSL
SCHEMBL7826517 0.83 MAOA (0.52) MAOACTSVCTSL
SCHEMBL8073544 0.82 RUVBL1 (0.54)
SCHEMBL7826175 0.82 MAOA (0.54) MAOA

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