SCHEMBL7355585

SCHEMBL7355585

COC(=O)C(=O)C(Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.54
PRSS1 P07477 1/20 0.54
CMA1 P23946 16/20 0.53
ACE P12821 1/20 0.52
CTRC Q99895 2/20 0.50
KLK5 Q9Y337 1/20 0.49

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
SCHEMBL7352708 0.91 F2 (0.61) F2PRSS1CMA1ACECTRC
SCHEMBL10826434 0.90 CMA1 (0.58) F2PRSS1CMA1ACECTRC
SCHEMBL10826474 0.90 CMA1 (0.58) F2PRSS1CMA1ACECTRC
SCHEMBL7357085 0.87 F2 (0.53) F2PRSS1CMA1ACECTRC
SCHEMBL7348141 0.86 MAPK1 (0.61) F2PRSS1CMA1ACECTRC
SCHEMBL4452582 0.86 CMA1 (0.65) F2PRSS1CMA1ACECTRC
SCHEMBL29566322 0.85 CMA1 (0.53) F2PRSS1CMA1ACECTRC
SCHEMBL4455011 0.84 CMA1 (0.73) CMA1ACECTRC
SCHEMBL7355589 0.82 ACE (0.46) F2PRSS1CMA1ACEKLK5
SCHEMBL28392404 0.81 F2 (0.47) F2PRSS1CMA1ACECTRC

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993025574-A1 INHIBITORS OF ANGIOTENSIN I CHYMASE(S) INCLUDING HUMAN HEART CHYMASE PFIZER INC. (US) 1993-12-23 WO disclosed