SCHEMBL7410432

SCHEMBL7410432

O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)C(CS)C(F)(F)F

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACE P12821 4/20 0.71
ECE1 P42892 8/20 0.66

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
SCHEMBL11438476 0.85 ECE1 (0.83) ACEECE1
SCHEMBL7410932 0.85 ACE (0.61) ACEECE1
SCHEMBL29962841 0.83 ACE (0.76) ACEECE1
SCHEMBL6165601 0.83 ACE (1.00) ACEECE1
SCHEMBL21828591 0.83 ACE (0.76) ACEECE1
SCHEMBL14957775 0.83 ACE (0.76) ACEECE1
SCHEMBL11483619 0.83 ACE (1.00) ACEECE1
SCHEMBL11554471 0.83 ACE (0.76) ACEECE1
SCHEMBL8998961 0.82 ACE (0.74) ACEECE1
SCHEMBL11379169 0.82 ACE (0.74) ACEECE1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0449523-B1 Mercapto- or acylthio-trifluoromethyl amide derivatives and their use SQUIBB & SONS INC (US) 1994-08-17 EP claimed
EP-0449523-A1 Mercapto- or acylthio-trifluoromethyl amide derivatives and their use E.R. SQUIBB & SONS, INC. (US) 1991-10-02 EP claimed
US-5414013-A Enzyme inhibitors E. R. SQUIBB & SONS, INC. (US) 1995-05-09 US disclosed
US-5414017-A Cardiovascular agents E. R. SQUIBB & SONS, INC. (US) 1995-05-09 US disclosed
EP-0449523-B1 Mercapto- or acylthio-trifluoromethyl amide derivatives and their use SQUIBB & SONS INC (US) 1994-08-17 EP disclosed
US-5223516-A Endopeptidase inhibitors E. R. SQUIBB & SONS, INC. (US) 1993-06-29 US disclosed
EP-0449523-A1 Mercapto- or acylthio-trifluoromethyl amide derivatives and their use E.R. SQUIBB & SONS, INC. (US) 1991-10-02 EP disclosed