SCHEMBL9313548

SCHEMBL9313548

CC(=O)S[C@@H](Cc1ccccc1)C(=O)NC1CCC(=O)N2CCC[C@H](C(=O)O)N2C1=O

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACE P12821 5/20 0.73
MME P08473 4/20 0.73
LCK P06239 12/20 0.54
CASP1 P29466 3/20 0.48

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
SCHEMBL7350228 1.00 ACE (0.73) ACEMMELCKCASP1
SCHEMBL7346482 1.00 ACE (0.73) ACEMMELCKCASP1
SCHEMBL8800770 1.00 ACE (0.73) ACEMMELCKCASP1
SCHEMBL7374034 0.95 ACE (0.72) ACEMMELCKCASP1
SCHEMBL7341078 0.95 ACE (0.72) ACEMMELCKCASP1
SCHEMBL7378834 0.95 ACE (0.72) ACEMMELCKCASP1
SCHEMBL7381714 0.95 ACE (0.72) ACEMMELCKCASP1
SCHEMBL7348511 0.92 ACE (0.61) ACEMMELCK
SCHEMBL7346119 0.92 ACE (0.61) ACEMMELCK
SCHEMBL7353943 0.87 ACE (0.71) ACEMME

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
US-5366973-A Enkephalinase inhibitors, bradykinin inhibitors or inhibitors of angiotensin converting enzymes as analgesics, diuretics or hypotensive agents MERRELL DOW PHARMACEUTICALS INC. (US) 1994-11-22 US disclosed