SCHEMBL7411430

SCHEMBL7411430

O=C(N[C@@H](Cc1ccc2ccccc2c1)C(=O)O)C(CS)C(F)(F)F

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACE P12821 7/20 0.61
MME P08473 7/20 0.61
CPA1 P15085 2/20 0.61
ACE2 Q9BYF1 2/20 0.61
CA2 P00918 1/20 0.50
ALB P02768 1/20 0.48
IL2 P60568 1/20 0.48
PIN1 Q13526 2/20 0.47

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
SCHEMBL7411428 1.00 ACE (0.61) ACEMMECPA1ACE2CA2
SCHEMBL7405095 0.86 MME (0.61) ACEMMECPA1ACE2
SCHEMBL9849034 0.83 ACE (0.49) ACEMMECA2
SCHEMBL7410807 0.83 ACE (0.49) ACEMMECA2
SCHEMBL7410810 0.83 ACE (0.49) ACEMMECA2
SCHEMBL7413039 0.83 ACE (0.49) ACEMMECA2
SCHEMBL7410802 0.83 ACE (0.49) ACEMMECA2
SCHEMBL7418383 0.82 MME (0.63) ACEMMECPA1ACE2
SCHEMBL7418391 0.82 MME (0.63) ACEMMECPA1ACE2
SCHEMBL9119415 0.82 MME (0.63) ACEMMECPA1ACE2

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