SCHEMBL8561609

SCHEMBL8561609

Clc1cccc2c1Oc1ccccc1NC2

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62
AHR P35869 4/20 0.49
MEN1 O00255 2/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ALOX5 P09917 1/20 0.37
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HTR5A P47898 2/20 0.36
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
PNMT P11086 1/20 0.33
OXTR P30559 1/20 0.33

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
SCHEMBL9262051 0.87 GAA (0.62) GAANPSR1AHRMEN1MAPT
SCHEMBL8559691 0.83 GAA (0.41) GAANPSR1AHRMEN1MAPT
SCHEMBL8559100 0.81 GAA (0.54) GAANPSR1AHRMEN1MAPT
SCHEMBL8561406 0.81 MAPT (0.45) GAANPSR1AHRMEN1MAPT
SCHEMBL13098108 0.81 GAA (0.62) GAANPSR1MEN1MAPTKMT2A
SCHEMBL13098137 0.77 GAA (0.57) GAANPSR1MEN1MAPTKMT2A
SCHEMBL1368071 0.77 GAA (1.00) GAANPSR1MEN1MAPTKMT2A
SCHEMBL8815928 0.74 MAOA (0.59) GAANPSR1AHRNPC1RAB9A
SCHEMBL11537969 0.74 ALOX5 (0.59) AHRMEN1MAPTKMT2AALOX5
SCHEMBL5356729 0.73 GAA (0.51) GAANPSR1MEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0640592-B1 N-acylated tricyclic azaheterorings useful as vasopressin antagonists AMERICAN CYANAMID CO (US) 1998-12-30 EP disclosed
US-5461046-A Analgesics G. D. SEARLE & CO. (US) 1995-10-24 US disclosed
EP-0640592-A1 N-acylated tricyclic azaheterorings useful as vasopressin antagonists AMERICAN CYANAMID COMPANY (US) 1995-03-01 EP disclosed
US-5304644-A 1-,2-,3-,4-,5-,6-,7-,8- and/or 9 substituted dibenzoxazepine compounds, pharmaceutical compositions and methods for treating pain G. D. SEARLE & CO. (US) 1994-04-19 US disclosed
US-5189033-A Analgesics, antiiflammatory agents IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-02-23 US disclosed
EP-0480641-A1 Tricyclic heterocycles ZENECA LIMITED (GB) 1992-04-15 EP disclosed