SCHEMBL7423498

SCHEMBL7423498

O=C(O)CN1C(=O)C(NC(CCc2ccccc2)C(=O)O)CS[C@@H]1c1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 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
SCHEMBL7423494 1.00 ACE (0.62) ACE
SCHEMBL7424221 1.00 ACE (0.62) ACE
SCHEMBL7439029 0.89 ACE (0.56) ACE
SCHEMBL7429406 0.89 ACE (0.56) ACE
SCHEMBL7430471 0.89 ACE (0.56) ACE
SCHEMBL9526495 0.86 ACE (0.62) ACE
SCHEMBL9526161 0.86 ACE (0.62) ACE
SCHEMBL9527243 0.86 ACE (0.62) ACE
SCHEMBL9526504 0.86 ACE (0.62) ACE
SCHEMBL9526487 0.86 ACE (0.62) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0120728-A1 Thiazine and thiazepine containing compounds E.R. Squibb & Sons, Inc. (US) 1984-10-03 EP claimed
EP-0120728-A1 Thiazine and thiazepine containing compounds E.R. Squibb & Sons, Inc. (US) 1984-10-03 EP disclosed
US-4460579-A HYPOTENSIVE AGENTS, ANGIOTENSIN CONVERTING ENZYME INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1984-07-17 US disclosed