SCHEMBL7826175

SCHEMBL7826175

CN(C)CCCOc1ccc2c(=O)c3[nH]nnc3c(=O)[nH]c2c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.54
PARP1 P09874 3/20 0.52
TOP2A P11388 2/20 0.41
NUAK1 O60285 1/20 0.41
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41
HRH3 Q9Y5N1 1/20 0.37
DYRK1A Q13627 1/20 0.37
HTR6 P50406 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
DRD3 P35462 1/20 0.36
LSS P48449 1/20 0.36

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
SCHEMBL7825768 0.92 MAOA (0.47) MAOAPARP1TOP2ANUAK1PDGFRB
SCHEMBL7826517 0.86 MAOA (0.52) MAOAPARP1DYRK1AHTR6KDM4E
SCHEMBL7824605 0.85 CTSV (0.43) MAOADYRK1A
SCHEMBL7827211 0.84 HSD17B10 (0.51) PARP1KDM4EALDH1A1
SCHEMBL7829082 0.84 CTSV (0.44) MAOADYRK1AALDH1A1SMN1; SMN2
SCHEMBL7816229 0.82 MAOA (0.47) MAOA
SCHEMBL8068050 0.82 XDH (0.48) MAOAPARP1HRH3KDM4ESIGMAR1
SCHEMBL7827564 0.81 MAOA (0.47) MAOA
SCHEMBL7826811 0.81 ALDH1A1 (0.40) MAOADYRK1AKDM4EALDH1A1SMN1; SMN2
SCHEMBL7826292 0.81 KDM4E (0.47) MAOADYRK1AHTR6KDM4EALDH1A1

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