SCHEMBL9526322

SCHEMBL9526322

O=C(O)CN1C(=O)C(N[C@@H](CCc2ccccc2)C(=O)O)CSCC1Cc1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ACE P12821 8/20 0.61

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
SCHEMBL9526309 1.00 ACE (0.61) ACE
SCHEMBL9526561 1.00 ACE (0.61) ACE
SCHEMBL9526314 1.00 ACE (0.61) ACE
SCHEMBL9526195 0.95 ACE (0.56) ACE
SCHEMBL9525550 0.90 ACE (0.56) ACE
SCHEMBL9526865 0.90 ACE (0.56) ACE
SCHEMBL9526875 0.90 ACE (0.56) ACE
SCHEMBL9526877 0.90 ACE (0.56) ACE
SCHEMBL9524897 0.89 ACE (0.60) ACE
SCHEMBL10431718 0.88 ACE (0.58) 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