SCHEMBL7348146

SCHEMBL7348146

COC(=O)C(=O)C(Cc1ccccc1)N1CCC[C@H]1C(=O)NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.51
ACE P12821 1/20 0.49
KLK5 Q9Y337 1/20 0.46
REN P00797 6/20 0.46
KMT2A Q03164 2/20 0.44
CMA1 P23946 6/20 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
SCHEMBL7352711 0.94 ACE (0.53) MAPK1ACEKLK5KMT2ACMA1
SCHEMBL4452584 0.90 KLK5 (0.50) MAPK1ACEKLK5KMT2ACMA1
SCHEMBL4455015 0.89 CMA1 (0.49) ACEKLK5KMT2ACMA1
SCHEMBL7355589 0.86 ACE (0.46) ACEKLK5KMT2ACMA1
SCHEMBL7357094 0.85 SCN9A (0.46) MAPK1ACEKLK5RENKMT2A
SCHEMBL7348794 0.85 MAPK1 (0.51) MAPK1ACEKLK5RENKMT2A
SCHEMBL7354574 0.81 MEN1 (0.47) ACEKLK5KMT2ACMA1
SCHEMBL7348141 0.79 MAPK1 (0.61) MAPK1ACECMA1
SCHEMBL7352311 0.78 ACE (0.53) MAPK1ACEKLK5KMT2ACMA1
SCHEMBL7347210 0.77 GAA (0.46) ACEREN

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