SCHEMBL9527243

SCHEMBL9527243

O=C(O)CN1C(=O)[C@@H](N[C@H](CCc2ccccc2)C(=O)O)CSC[C@H]1c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ACE P12821 5/20 0.62

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
SCHEMBL9526504 1.00 ACE (0.62) ACE
SCHEMBL9526161 1.00 ACE (0.62) ACE
SCHEMBL9526495 1.00 ACE (0.62) ACE
SCHEMBL9526487 1.00 ACE (0.62) ACE
SCHEMBL9530068 0.90 ACE (0.55) ACE
SCHEMBL9527780 0.90 ACE (0.51) ACE
SCHEMBL9526226 0.89 ACE (0.56) ACE
SCHEMBL9525588 0.89 ACE (0.56) ACE
SCHEMBL9525593 0.89 ACE (0.56) ACE
SCHEMBL9525613 0.89 ACE (0.56) 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 5 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-0161801-B1 PERHYDROTHIAZEPINE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC USE SANKYO COMPANY LIMITED (JP) 1990-11-07 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