SCHEMBL7422816

SCHEMBL7422816

CCOP(=O)(CCCCc1ccccc1)NC1CSCCN(CC(=O)O)C1=O

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SRC P12931 6/20 0.49
ACE P12821 7/20 0.43
CASP1 P29466 1/20 0.41
CASP8 Q14790 1/20 0.41

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
SCHEMBL7330364 0.86 ACE (0.55) SRCACE
SCHEMBL7330368 0.86 ACE (0.55) SRCACE
SCHEMBL7426897 0.86 ACE (0.41) SRCACE
SCHEMBL7322584 0.86 ACE (0.55) SRCACE
SCHEMBL7322575 0.86 ACE (0.55) SRCACE
SCHEMBL7423479 0.85 SRC (0.53) SRCACECASP1CASP8
SCHEMBL11104772 0.80 LMNA (0.38) ACE
SCHEMBL11104778 0.80 LMNA (0.38) ACE
SCHEMBL7433313 0.79 ACE (0.58) ACE
SCHEMBL7433309 0.77 ACE (0.36) 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 2 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 disclosed
US-4460579-A HYPOTENSIVE AGENTS, ANGIOTENSIN CONVERTING ENZYME INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1984-07-17 US disclosed