SCHEMBL7409605

SCHEMBL7409605

O=C(O)[C@H](Cc1n[nH]c2ccccc12)NC(=O)[C@H](CS)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACE P12821 3/20 0.45
ECE1 P42892 8/20 0.42

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
SCHEMBL7415396 1.00 ACE (0.45) ACEECE1
SCHEMBL7409601 1.00 ACE (0.45) ACEECE1
SCHEMBL7410432 0.80 ACE (0.71) ACEECE1
SCHEMBL9265461 0.78 ALOX15 (0.47) ACE
SCHEMBL7405095 0.78 MME (0.61) ACEECE1
SCHEMBL7408172 0.73 HRH4 (0.45) ACEECE1
SCHEMBL6777456 0.72 ECE1 (0.73) ACEECE1
SCHEMBL6777460 0.72 ECE1 (0.73) ACEECE1
SCHEMBL7412626 0.72 ACE (0.40) ACE
SCHEMBL7411428 0.71 ACE (0.61) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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