SCHEMBL7348141

SCHEMBL7348141

COC(=O)C(=O)C(Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.61
CMA1 P23946 17/20 0.59
ACE P12821 1/20 0.56
F2 P00734 1/20 0.56
PRSS1 P07477 1/20 0.56
CTRC Q99895 3/20 0.53

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 0.94 F2 (0.61) CMA1ACEF2PRSS1CTRC
SCHEMBL4452582 0.92 CMA1 (0.65) CMA1ACEF2PRSS1CTRC
SCHEMBL4455011 0.89 CMA1 (0.73) CMA1ACECTRC
SCHEMBL7355585 0.86 F2 (0.54) CMA1ACEF2PRSS1CTRC
SCHEMBL7348789 0.85 MAPK1 (0.55) MAPK1CMA1ACEF2PRSS1
SCHEMBL7348799 0.85 MAPK1 (0.55) MAPK1CMA1ACEF2PRSS1
SCHEMBL7357085 0.85 F2 (0.53) CMA1ACEF2PRSS1CTRC
SCHEMBL7409245 0.85 CMA1 (0.71) MAPK1CMA1CTRC
SCHEMBL20174030 0.85 ACE (0.67) MAPK1CMA1ACEF2PRSS1
SCHEMBL7354571 0.84 ACE (0.51) CMA1ACEF2PRSS1

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