SCHEMBL7301856

SCHEMBL7301856

CCCS(=O)(=O)NC[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 0.52
PGC P20142 1/20 0.48

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
SCHEMBL7301015 0.93 REN (0.54) REN
SCHEMBL9700464 0.93 REN (0.52) RENPGC
SCHEMBL9700486 0.93 REN (0.52) RENPGC
SCHEMBL7300919 0.92 REN (0.53) REN
SCHEMBL7296665 0.92 REN (0.50) REN
SCHEMBL7299316 0.92 REN (0.48) REN
SCHEMBL7292032 0.92 REN (0.47) REN
SCHEMBL7290943 0.91 REN (0.48) RENPGC
SCHEMBL7300592 0.90 REN (0.51) REN
SCHEMBL7265708 0.90 REN (0.53) 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