SCHEMBL7403552

SCHEMBL7403552

CN1CCN(C(=O)N[C@@H](Cc2ccccc2)C(=O)N([C@@H](Cc2c[nH]cn2)C(N)=O)[C@@H](CC2CCCCC2)[C@@H](O)c2ncc[nH]2)CC1

nearest known ligand 0.44

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
REN P00797 17/20 0.44

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
SCHEMBL7323158 0.96 REN (0.43) REN
Hydrochloric Acid SCHEMBL7314911 0.95 REN (0.43) REN
SCHEMBL7316049 0.93 REN (0.42) REN
SCHEMBL7326621 0.88 REN (0.42) REN
Hydrochloric Acid SCHEMBL7323642 0.88 REN (0.42) REN
SCHEMBL7314665 0.87 REN (0.46) REN
SCHEMBL7316219 0.87 REN (0.41) REN
SCHEMBL7316302 0.87 REN (0.47) REN
SCHEMBL7309930 0.87 REN (0.46) REN
Hydrochloric Acid SCHEMBL7318517 0.87 REN (0.41) 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-0231919-A2 N-Heterocyclic alcohol renin inhibitors E.R. Squibb & Sons, Inc. (US) 1987-08-12 EP disclosed