SCHEMBL7320151

SCHEMBL7320151

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N(CC(N)=O)[C@@H](CC1CCCCC1)[C@@H](O)c1nccn1COCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
REN P00797 15/20 0.41
PGC P20142 1/20 0.39
HTRA1 Q92743 1/20 0.39
ACE P12821 1/20 0.38
PSMB1 P20618 1/20 0.38
PSMB8 P28062 1/20 0.38
PSMB9 P28065 1/20 0.38
PSMB5 P28074 1/20 0.38
PSMB10 P40306 1/20 0.38
PSMB2 P49721 1/20 0.38

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
SCHEMBL7320145 0.89 REN (0.40) RENPGCACEPSMB1PSMB8
SCHEMBL7320165 0.89 REN (0.40) RENPGCACEPSMB1PSMB8
SCHEMBL7321725 0.87 REN (0.45) REN
SCHEMBL7321722 0.86 REN (0.43) REN
SCHEMBL7319388 0.86 REN (0.39) RENPGCACEPSMB1PSMB8
SCHEMBL7320914 0.82 REN (0.47) RENPGC
SCHEMBL7399224 0.80 REN (0.55) RENPGC
SCHEMBL7314808 0.79 REN (0.36) RENPGCHTRA1ACEPSMB1
SCHEMBL7319600 0.79 REN (0.36) RENPGCHTRA1ACEPSMB1
SCHEMBL7309951 0.77 REN (0.35) REN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0231919-B1 N-HETEROCYCLIC ALCOHOL RENIN INHIBITORS E.R. Squibb & Sons, Inc. (US) 1993-01-20 EP disclosed
EP-0231919-A2 N-Heterocyclic alcohol renin inhibitors E.R. Squibb & Sons, Inc. (US) 1987-08-12 EP disclosed