SCHEMBL9525889

SCHEMBL9525889

O=C(O)CN1C(=O)C(NC(CCc2ccccc2)C(=O)O)CSCC1c1cccc2ccccc12

nearest known ligand 0.75

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ACE P12821 6/20 0.55

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
SCHEMBL9526849 0.91 ACE (0.51) ACE
SCHEMBL9526495 0.86 ACE (0.62) ACE
SCHEMBL9526487 0.86 ACE (0.62) ACE
SCHEMBL9527243 0.86 ACE (0.62) ACE
SCHEMBL9526504 0.86 ACE (0.62) ACE
SCHEMBL9526161 0.86 ACE (0.62) ACE
SCHEMBL9530068 0.84 ACE (0.55) ACE
SCHEMBL9525352 0.82 ACE (0.73) ACE
SCHEMBL9525346 0.82 ACE (0.73) ACE
SCHEMBL9525339 0.82 ACE (0.73) 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