SCHEMBL9526453

SCHEMBL9526453

CC(C)COC(=O)C(CCc1ccccc1)NC1CSC(c2ccc3ccccc3c2)CN(CC(=O)O)C1=O

nearest known ligand 0.64

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ACE P12821 4/20 0.46

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
SCHEMBL9526062 0.93 ACE (0.51) ACE
SCHEMBL9526914 0.91 ACE (0.48) ACE
SCHEMBL9529874 0.90 ACE (0.45) ACE
SCHEMBL9525210 0.89 ACE (0.59) ACE
SCHEMBL9526514 0.88 ACE (0.44) ACE
SCHEMBL9526547 0.88 ACE (0.43) ACE
SCHEMBL10376759 0.87 ACE (0.47) ACE
SCHEMBL9526604 0.87 ACE (0.41) ACE
SCHEMBL9526494 0.87 ACE (0.43) ACE
SCHEMBL9526291 0.86 ACE (0.46) ACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0365045-B1 Perhydrothiazepine derivatives, their preparation and their therapeutic use SANKYO CO (JP) 1993-12-01 EP disclosed
EP-0365045-A1 Perhydrothiazepine derivatives, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1990-04-25 EP disclosed
US-4699905-A HYPOTENSIVE AGENTS SANKYO COMPANY, LIMITED (JP) 1987-10-13 US disclosed
EP-0161801-A2 Perhydrothiazepine derivatives, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1985-11-21 EP disclosed