SCHEMBL9699376

SCHEMBL9699376

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)CCCCCC(=O)OC

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 0.49
CTSE P14091 4/20 0.48
CTSD P07339 3/20 0.48
PGA5 P0DJD9 3/20 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
SCHEMBL9699260 0.94 REN (0.48) RENCTSECTSDPGA5
SCHEMBL7293071 0.94 REN (0.48) RENCTSECTSDPGA5
SCHEMBL9699532 0.93 REN (0.47) RENCTSECTSDPGA5
SCHEMBL9699700 0.91 REN (0.50) REN
SCHEMBL9698141 0.90 REN (0.47) RENCTSECTSD
SCHEMBL7302814 0.89 REN (0.48) REN
SCHEMBL9699599 0.89 REN (0.53) RENCTSECTSDPGA5
SCHEMBL9699604 0.89 REN (0.47) RENCTSECTSD
SCHEMBL9700486 0.88 REN (0.52) REN
SCHEMBL9700464 0.88 REN (0.52) 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-0501280-A2 Renin-inhibiting peptide analogues MERCK PATENT GmbH (DE) 1992-09-02 EP disclosed