SCHEMBL7300919

SCHEMBL7300919

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)OCc1ccccc1)C(C)C

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 0.53
CTSE P14091 1/20 0.43

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
SCHEMBL9699599 0.93 REN (0.53) RENCTSE
SCHEMBL7301856 0.92 REN (0.52) REN
SCHEMBL7301282 0.91 REN (0.47) RENCTSE
SCHEMBL7299316 0.90 REN (0.48) REN
SCHEMBL7302814 0.90 REN (0.48) REN
SCHEMBL7292032 0.90 REN (0.47) REN
SCHEMBL7293071 0.89 REN (0.48) RENCTSE
SCHEMBL7300592 0.89 REN (0.51) REN
SCHEMBL7295177 0.88 REN (0.46) REN
SCHEMBL7302530 0.88 REN (0.50) 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-0339483-A2 Renin inhbiting amino-acid derivatives MERCK PATENT GmbH (DE) 1989-11-02 EP disclosed