SCHEMBL9700660

SCHEMBL9700660

CCCS(=O)(=O)NC[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCC(N)CC1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 0.56
CTSD P07339 4/20 0.43
CTSE P14091 4/20 0.43
PGA5 P0DJD9 3/20 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
SCHEMBL9699199 0.92 REN (0.57) RENCTSDCTSEPGA5
SCHEMBL9699548 0.91 REN (0.57) RENCTSDCTSEPGA5
SCHEMBL9699413 0.91 REN (0.57) RENCTSDCTSEPGA5
SCHEMBL9699211 0.89 REN (0.59) REN
SCHEMBL9700554 0.85 REN (0.55) REN
SCHEMBL9676740 0.84 REN (0.64) REN
SCHEMBL9700497 0.84 REN (0.47) RENCTSDCTSE
SCHEMBL9698158 0.84 REN (0.50) RENCTSDCTSEPGA5
SCHEMBL9698243 0.84 REN (0.50) RENCTSDCTSEPGA5
Hydrochloric Acid SCHEMBL9700788 0.83 REN (0.49) RENCTSDCTSEPGA5

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