SCHEMBL9700780

SCHEMBL9700780

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)NCCCCCN(C)C

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
REN P00797 19/20 0.45
CTSE P14091 2/20 0.43
CTSD P07339 1/20 0.43
PGC P20142 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
SCHEMBL9699532 0.93 REN (0.47) RENCTSECTSD
SCHEMBL9700497 0.86 REN (0.47) RENCTSECTSDPGC
SCHEMBL9699700 0.86 REN (0.50) REN
SCHEMBL9699376 0.85 REN (0.49) RENCTSECTSD
SCHEMBL9699260 0.85 REN (0.48) RENCTSECTSD
SCHEMBL9700448 0.85 REN (0.51) REN
SCHEMBL9699599 0.85 REN (0.53) RENCTSECTSD
SCHEMBL9700398 0.85 REN (0.51) REN
SCHEMBL9700613 0.85 REN (0.49) RENCTSECTSD
SCHEMBL9699400 0.85 REN (0.49) 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