SCHEMBL11228559

SCHEMBL11228559

Cc1ccc(CC2C[C@@H](C(=O)O)N(C(=O)C(C)CS)C2)cc1

nearest known ligand 0.61

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ACE P12821 4/20 0.51

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
SCHEMBL11238284 0.91 ACE (0.61) ACE
SCHEMBL11242148 0.90 ACE (0.50) ACE
SCHEMBL11241094 0.90 ACE (0.50) ACE
SCHEMBL11235706 0.87 ACE (0.50) ACE
SCHEMBL11238610 0.85 ACE (0.52) ACE
SCHEMBL11234751 0.84 ACE (0.50) ACE
SCHEMBL11241991 0.83 ACE (0.48) ACE
SCHEMBL11243274 0.82 ACE (0.51) ACE
SCHEMBL7346498 0.81 ACE (0.48) ACE
SCHEMBL11232040 0.80 ACE (0.52) 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-4316905-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1982-02-23 US disclosed