SCHEMBL9699554

SCHEMBL9699554

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)CC(C)(C)N

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 0.51
CTSD P07339 1/20 0.45
CTSE P14091 1/20 0.45

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
SCHEMBL9698251 0.93 REN (0.48) RENCTSDCTSE
SCHEMBL9699604 0.91 REN (0.47) RENCTSDCTSE
SCHEMBL9698134 0.89 REN (0.63) REN
SCHEMBL7294617 0.88 REN (0.49) REN
SCHEMBL7302036 0.87 REN (0.48) REN
SCHEMBL9699203 0.86 REN (0.53) RENCTSE
SCHEMBL9699542 0.86 REN (0.52) REN
SCHEMBL9698141 0.86 REN (0.47) RENCTSDCTSE
SCHEMBL13754442 0.86 REN (0.65) REN
SCHEMBL9700560 0.85 REN (0.55) 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