SCHEMBL9727990

SCHEMBL9727990

CC(C)[C@@H](CCNC(=O)CCc1ccccc1)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 0.54

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
SCHEMBL7635277 0.97 REN (0.54) REN
SCHEMBL7632386 0.97 REN (0.54) REN
SCHEMBL7632392 0.97 REN (0.54) REN
SCHEMBL9728001 0.94 REN (0.52) REN
SCHEMBL9727994 0.94 REN (0.52) REN
SCHEMBL7632877 0.90 REN (0.49) REN
SCHEMBL7632889 0.90 REN (0.49) REN
SCHEMBL7635268 0.90 REN (0.48) REN
Hydrochloric Acid SCHEMBL9728017 0.90 REN (0.48) REN
Hydrochloric Acid SCHEMBL9728008 0.90 REN (0.48) 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
US-5140011-A Hypotensive agents HOFFMANN-LA ROCHE, INC. (US) 1992-08-18 US disclosed