SCHEMBL7355589

SCHEMBL7355589

COC(=O)C(=O)C(Cc1ccccc1)N1CCC[C@H]1C(=O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.46
KLK5 Q9Y337 1/20 0.44
SCN9A Q15858 4/20 0.42
CMA1 P23946 6/20 0.40
F2 P00734 1/20 0.40
PRSS1 P07477 1/20 0.40
KMT2A Q03164 1/20 0.39
AKT1 P31749 1/20 0.39
CTSS P25774 2/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSK P43235 1/20 0.39
CCKAR P32238 1/20 0.39
CCKBR P32239 1/20 0.39

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 0.90 ACE (0.53) ACEKLK5SCN9ACMA1F2
SCHEMBL7357094 0.88 SCN9A (0.46) ACEKLK5SCN9ACMA1F2
SCHEMBL7348146 0.86 MAPK1 (0.51) ACEKLK5CMA1KMT2A
SCHEMBL4452584 0.84 KLK5 (0.50) ACEKLK5CMA1KMT2A
SCHEMBL4455015 0.83 CMA1 (0.49) ACEKLK5CMA1KMT2A
SCHEMBL7355585 0.82 F2 (0.54) ACEKLK5CMA1F2PRSS1
SCHEMBL7354574 0.78 MEN1 (0.47) ACEKLK5CMA1KMT2A
SCHEMBL10826434 0.77 CMA1 (0.58) ACECMA1F2PRSS1
SCHEMBL10826474 0.77 CMA1 (0.58) ACECMA1F2PRSS1
SCHEMBL7352311 0.76 ACE (0.53) ACEKLK5SCN9ACMA1F2

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