SCHEMBL7300713

SCHEMBL7300713

CC(C)S(=O)(=O)NCCC[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCC(NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 0.53
PGC P20142 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
SCHEMBL7293568 0.92 REN (0.52) RENPGC
SCHEMBL9700775 0.91 REN (0.50) RENPGC
SCHEMBL7292215 0.90 REN (0.51) REN
SCHEMBL9658139 0.87 REN (0.55) RENPGC
SCHEMBL9437961 0.87 REN (0.64) REN
SCHEMBL9438012 0.87 REN (0.58) RENPGC
SCHEMBL9660757 0.86 REN (0.54) RENPGC
SCHEMBL9438137 0.86 REN (0.58) RENPGC
SCHEMBL9438106 0.86 REN (0.57) RENPGC
SCHEMBL9699595 0.86 REN (0.50) RENPGC

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-0339483-A2 Renin inhbiting amino-acid derivatives MERCK PATENT GmbH (DE) 1989-11-02 EP disclosed