SCHEMBL7408172

SCHEMBL7408172

O=C(O)C(Cc1occ2ccccc12)NC(=O)C(CS)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.45
MME P08473 6/20 0.42
ACE P12821 3/20 0.42
CPA1 P15085 1/20 0.42
ACE2 Q9BYF1 1/20 0.42
ECE1 P42892 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL7405264 0.85 ACE (0.39) HRH4MMEACECPA1ACE2
SCHEMBL7405095 0.79 MME (0.61) MMEACECPA1ACE2ECE1
SCHEMBL7411430 0.76 ACE (0.61) MMEACECPA1ACE2
SCHEMBL7411428 0.76 ACE (0.61) MMEACECPA1ACE2
SCHEMBL7408168 0.76 PIN1 (0.57) HRH4MMEACECPA1ACE2
SCHEMBL7417976 0.76 PIN1 (0.57) HRH4MMEACECPA1ACE2
SCHEMBL7408164 0.76 PIN1 (0.57) HRH4MMEACECPA1ACE2
SCHEMBL7410432 0.74 ACE (0.71) ACEECE1
SCHEMBL7415396 0.73 ACE (0.45) ACEECE1
SCHEMBL7409601 0.73 ACE (0.45) 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 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