SCHEMBL9699256

SCHEMBL9699256

CCCS(=O)(=O)NC[C@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)C(Cc1c[nH]cn1)N(Cc1cccc2ccccc12)C(=O)CCC(=O)N1CCC(NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 0.38
CTSD P07339 1/20 0.33
CTSE P14091 1/20 0.33

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
SCHEMBL9699473 0.91 REN (0.43) RENCTSDCTSE
SCHEMBL9698109 0.90 REN (0.39) RENCTSDCTSE
SCHEMBL7291733 0.87 REN (0.42) REN
SCHEMBL9699394 0.86 REN (0.49) REN
SCHEMBL7294107 0.86 REN (0.39) RENCTSE
SCHEMBL7300086 0.82 REN (0.49) REN
SCHEMBL9700503 0.80 REN (0.50) REN
SCHEMBL9699238 0.79 REN (0.50) RENCTSDCTSE
SCHEMBL7301933 0.79 REN (0.51) REN
SCHEMBL9699254 0.77 REN (0.58) 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