SCHEMBL9660757

SCHEMBL9660757

CC(C)(C)OC(=O)NC1CCN(C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](CC2CCCCC2)[C@H](O)C(C)(C)O)CC1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
REN P00797 19/20 0.54
PGC P20142 1/20 0.49
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL9658139 0.93 REN (0.55) RENPGC
SCHEMBL9659392 0.91 REN (0.53) RENPGCKDM4E
SCHEMBL9659594 0.89 REN (0.54) REN
SCHEMBL9437961 0.89 REN (0.64) REN
SCHEMBL9438012 0.89 REN (0.58) RENPGC
SCHEMBL7376775 0.89 REN (0.53) RENPGC
SCHEMBL9438106 0.88 REN (0.57) RENPGC
SCHEMBL9438137 0.88 REN (0.58) RENPGC
SCHEMBL9659590 0.88 REN (0.56) REN
SCHEMBL9658127 0.88 REN (0.52) RENPGCKDM4E

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-0490259-A2 Aminoacid and peptid derivatives with renin inhibiting properties MERCK PATENT GmbH (DE) 1992-06-17 EP disclosed