SCHEMBL7416436

SCHEMBL7416436

CC(=O)SCC(C(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MME P08473 8/20 0.51
ACE P12821 6/20 0.51
MMP1 P03956 1/20 0.51
MMP3 P08254 1/20 0.51
FCER2 P06734 1/20 0.49
CPA1 P15085 4/20 0.48
ACE2 Q9BYF1 4/20 0.48
NPSR1 Q6W5P4 1/20 0.47
FPR2 P25090 1/20 0.46
ECE1 P42892 1/20 0.46

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
SCHEMBL7407660 0.91 ACE (0.53) MMEACECPA1ACE2
SCHEMBL7407664 0.91 ACE (0.53) MMEACECPA1ACE2
SCHEMBL7409087 0.91 ACE (0.53) MMEACECPA1ACE2
SCHEMBL7409095 0.91 ACE (0.53) MMEACECPA1ACE2
SCHEMBL7411742 0.85 ACE (0.46) MMEACEMMP1MMP3CPA1
SCHEMBL7411740 0.85 ACE (0.46) MMEACEMMP1MMP3CPA1
SCHEMBL7408569 0.85 ACE (0.46) MMEACEMMP1MMP3CPA1
SCHEMBL7408563 0.85 ACE (0.46) MMEACEMMP1MMP3CPA1
SCHEMBL7419934 0.84 MME (0.53) MMEACECPA1ACE2ECE1
SCHEMBL9849020 0.84 MME (0.55) MMEACEFCER2CPA1ACE2

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