SCHEMBL7829082

SCHEMBL7829082

O=c1[nH]c2cc(OCCOc3ccccc3)ccc2c(=O)c2[nH]nnc12

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSV O60911 2/20 0.44
CTSL P07711 2/20 0.44
MAOA P21397 5/20 0.41
DYRK1A Q13627 1/20 0.39
CYP2D6 P10635 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
MDH2 P40926 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL7824605 0.97 CTSV (0.43) CTSVCTSLMAOADYRK1ACYP2D6
SCHEMBL7816229 0.89 MAOA (0.47) CTSVCTSLMAOA
SCHEMBL7826517 0.89 MAOA (0.52) CTSVCTSLMAOADYRK1ACYP2D6
SCHEMBL7827564 0.88 MAOA (0.47) CTSVCTSLMAOA
SCHEMBL7824749 0.88 CTSV (0.60) CTSVCTSLMAOAALDH1A1HPGD
SCHEMBL7831835 0.88 CTSV (0.40) CTSVCTSLMAOACYP2D6ALDH1A1
SCHEMBL7827211 0.85 HSD17B10 (0.51) CTSVCTSLNPC1ALDH1A1HPGD
SCHEMBL7824709 0.84 PDE2A (0.41) CTSVCTSLDYRK1AALDH1A1HPGD
SCHEMBL7826175 0.84 MAOA (0.54) MAOADYRK1AALDH1A1SMN1; SMN2
SCHEMBL7831263 0.83 ACHE (0.52) 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