SCHEMBL9526952

SCHEMBL9526952

COc1ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)[C@@H](O)CC(C)(C)N)cc1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 0.53
PGC P20142 1/20 0.46

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
SCHEMBL9526718 0.92 REN (0.56) RENPGC
SCHEMBL9694640 0.92 REN (0.53) RENPGC
Enalkiren SCHEMBL123107 0.85 REN (0.62) REN
SCHEMBL9694434 0.84 REN (0.57) RENPGC
SCHEMBL9504686 0.84 REN (0.57) RENPGC
SCHEMBL9505561 0.84 REN (0.57) RENPGC
SCHEMBL9524114 0.83 REN (0.55) REN
SCHEMBL7334721 0.82 REN (0.52) REN
SCHEMBL10381528 0.82 REN (0.63) REN
SCHEMBL9503562 0.82 REN (0.54) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0483271-B1 PEPTIDES CONTAINING DIAMINO-GLYCOLS AS TRANSITION-STATE MIMICS THE UPJOHN COMPANY (US) 1993-08-25 EP claimed