SCHEMBL7317825

SCHEMBL7317825

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
REN P00797 19/20 0.66
PGC P20142 1/20 0.57
PGA5 P0DJD9 1/20 0.56
ACE P12821 1/20 0.56

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
SCHEMBL27673678 0.92 REN (0.65) RENPGCPGA5
SCHEMBL27335661 0.92 REN (0.65) RENPGCPGA5
SCHEMBL25054176 0.91 REN (0.57) RENPGCPGA5
SCHEMBL27608533 0.90 REN (0.56) RENPGCPGA5
SCHEMBL1132649 0.88 ITGB2 (0.57) RENACE
SCHEMBL1133307 0.88 ITGB2 (0.57) RENACE
SCHEMBL14028689 0.88 ITGB2 (0.57) RENACE
SCHEMBL28684251 0.87 ITGB2 (0.56) RENACE
SCHEMBL10825122 0.86 REN (0.73) REN
SCHEMBL2367371 0.86 ACE (0.72) RENACE

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 4 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
US-4885292-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1989-12-05 US disclosed
US-4757050-A Urea, amide group-containing E. R. SQUIBB SONS, INC. (US) 1988-07-12 US disclosed
EP-0231919-A2 N-Heterocyclic alcohol renin inhibitors E.R. Squibb & Sons, Inc. (US) 1987-08-12 EP disclosed