SCHEMBL9699604

SCHEMBL9699604

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)CC(C)(C)N

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 0.47
CTSE P14091 2/20 0.46
CTSD P07339 1/20 0.46

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
SCHEMBL9698141 0.95 REN (0.47) RENCTSECTSD
SCHEMBL7302036 0.94 REN (0.48) REN
SCHEMBL9699380 0.93 REN (0.48) RENCTSECTSD
SCHEMBL9698251 0.91 REN (0.48) RENCTSECTSD
SCHEMBL9699554 0.91 REN (0.51) RENCTSECTSD
SCHEMBL9700765 0.91 REN (0.49) RENCTSE
SCHEMBL9700486 0.90 REN (0.52) REN
SCHEMBL9700464 0.90 REN (0.52) REN
SCHEMBL9699260 0.90 REN (0.48) RENCTSECTSD
SCHEMBL9699305 0.90 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-0501280-A2 Renin-inhibiting peptide analogues MERCK PATENT GmbH (DE) 1992-09-02 EP disclosed