SCHEMBL9699203

SCHEMBL9699203

CC(C)S(=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)CC1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 0.53
CTSE P14091 1/20 0.47

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
SCHEMBL9699212 0.94 REN (0.52) RENCTSE
SCHEMBL9699313 0.92 REN (0.50) RENCTSE
SCHEMBL9698243 0.92 REN (0.50) RENCTSE
SCHEMBL9698158 0.92 REN (0.50) RENCTSE
Hydrochloric Acid SCHEMBL9700788 0.91 REN (0.49) RENCTSE
SCHEMBL7292215 0.90 REN (0.51) REN
SCHEMBL9700775 0.90 REN (0.50) REN
SCHEMBL9699202 0.89 REN (0.54) REN
SCHEMBL7293147 0.87 REN (0.51) REN
SCHEMBL7292223 0.87 REN (0.51) 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