SCHEMBL11111840

SCHEMBL11111840

NCCCP(=O)(O)NC1CS[C@H](c2ccccc2)N(CC(=O)O)C1=O

nearest known ligand 0.52

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.35

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
SCHEMBL11111836 1.00 ACE (0.35) ACE
SCHEMBL11114123 0.96 ACE (0.35) ACE
SCHEMBL11114124 0.96 ACE (0.35) ACE
SCHEMBL7424207 0.88 LMNA (0.38)
SCHEMBL7424201 0.88 LMNA (0.38)
SCHEMBL7432482 0.87 ACE (0.36) ACE
SCHEMBL7432474 0.87 ACE (0.36) ACE
SCHEMBL7426175 0.82 ITGB3 (0.35) ACE
SCHEMBL7426180 0.82 ITGB3 (0.35) ACE
SCHEMBL7436611 0.76 ACE (0.43) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4460579-A HYPOTENSIVE AGENTS, ANGIOTENSIN CONVERTING ENZYME INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1984-07-17 US disclosed