SCHEMBL7301282

SCHEMBL7301282

CCCS(=O)(=O)NC[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCC(NC(=O)OCc2ccccc2)CC1)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 0.47
CTSE P14091 1/20 0.41

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
SCHEMBL9699257 0.94 REN (0.47) RENCTSE
SCHEMBL7290943 0.93 REN (0.48) REN
SCHEMBL7300919 0.91 REN (0.53) RENCTSE
SCHEMBL7302530 0.91 REN (0.50) REN
Hydrochloric Acid SCHEMBL7300587 0.90 REN (0.49) REN
SCHEMBL7299531 0.88 REN (0.49) REN
SCHEMBL9699238 0.87 REN (0.50) RENCTSE
SCHEMBL9698191 0.87 REN (0.48) RENCTSE
SCHEMBL7293755 0.86 REN (0.50) REN
SCHEMBL9699221 0.86 REN (0.47) RENCTSE

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-0339483-A2 Renin inhbiting amino-acid derivatives MERCK PATENT GmbH (DE) 1989-11-02 EP disclosed