SCHEMBL7410325

SCHEMBL7410325

O=C(NC(Cc1c[nH]c2ccccc12)c1nnn[nH]1)C(CS)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.46
ECE1 P42892 4/20 0.45
MMP1 P03956 2/20 0.44
MMP3 P08254 2/20 0.44
MMP7 P09237 2/20 0.44
SSTR3 P32745 1/20 0.43

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
SCHEMBL7412819 1.00 ACE (0.46) ACEECE1MMP1MMP3MMP7
SCHEMBL7410315 1.00 ACE (0.46) ACEECE1MMP1MMP3MMP7
SCHEMBL7412806 1.00 ACE (0.46) ACEECE1MMP1MMP3MMP7
SCHEMBL9242659 1.00 ACE (0.46) ACEECE1MMP1MMP3MMP7
SCHEMBL7410319 1.00 ACE (0.46) ACEECE1MMP1MMP3MMP7
SCHEMBL7412810 1.00 ACE (0.46) ACEECE1MMP1MMP3MMP7
SCHEMBL7411845 0.87 MMP1 (0.43) ACEMMP1MMP3MMP7SSTR3
SCHEMBL7411850 0.87 MMP1 (0.43) ACEMMP1MMP3MMP7SSTR3
SCHEMBL7413406 0.87 MMP1 (0.43) ACEMMP1MMP3MMP7SSTR3
SCHEMBL7411840 0.87 MMP1 (0.43) ACEMMP1MMP3MMP7SSTR3

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
US-5223516-A Endopeptidase inhibitors E. R. SQUIBB & SONS, INC. (US) 1993-06-29 US 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-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