SCHEMBL9700613

SCHEMBL9700613

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)N1CCC(N(C)C)CC1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 0.49
CTSE P14091 5/20 0.46
CTSD P07339 4/20 0.44
PGA5 P0DJD9 3/20 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
SCHEMBL9698243 0.93 REN (0.50) RENCTSECTSDPGA5
SCHEMBL9698158 0.93 REN (0.50) RENCTSECTSDPGA5
Hydrochloric Acid SCHEMBL9700788 0.92 REN (0.49) RENCTSECTSDPGA5
SCHEMBL9698191 0.91 REN (0.48) RENCTSECTSDPGA5
SCHEMBL9699221 0.90 REN (0.47) RENCTSECTSDPGA5
SCHEMBL9699257 0.89 REN (0.47) RENCTSECTSDPGA5
SCHEMBL9699238 0.89 REN (0.50) RENCTSECTSDPGA5
SCHEMBL7293147 0.88 REN (0.51) REN
SCHEMBL7292223 0.88 REN (0.51) REN
SCHEMBL9699380 0.87 REN (0.48) RENCTSECTSD

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