SCHEMBL9700486

SCHEMBL9700486

CCCS(=O)(=O)NC[C@@H](O)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

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 0.52
PGC P20142 1/20 0.49

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
SCHEMBL9700464 1.00 REN (0.52) RENPGC
SCHEMBL9698224 0.94 REN (0.46) RENPGC
SCHEMBL7301856 0.93 REN (0.52) RENPGC
SCHEMBL9700765 0.93 REN (0.49) RENPGC
SCHEMBL9700560 0.93 REN (0.55) REN
SCHEMBL9699599 0.92 REN (0.53) REN
SCHEMBL9699700 0.91 REN (0.50) REN
SCHEMBL9698141 0.91 REN (0.47) REN
SCHEMBL9699380 0.91 REN (0.48) REN
SCHEMBL7265708 0.91 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-0501280-A2 Renin-inhibiting peptide analogues MERCK PATENT GmbH (DE) 1992-09-02 EP disclosed