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Sugi Predict / Compounds / SCHEMBL7316219

SCHEMBL7316219

SCHEMBL7316219

CC(C)(C)CC(=O)N[C@@H](Cc1ccccc1)C(=O)N([C@@H](Cc1c[nH]cn1)C(N)=O)[C@@H](CC1CCCCC1)[C@@H](O)c1ncc[nH]1

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 20/20 0.41
▸ PGC P20142 1/20 0.35

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
Hydrochloric Acid SCHEMBL7318517 0.99 REN (0.41) RENPGC
SCHEMBL7316302 0.91 REN (0.47) REN
SCHEMBL7314665 0.91 REN (0.46) RENPGC
SCHEMBL7309930 0.91 REN (0.46) RENPGC
Hydrochloric Acid SCHEMBL7316479 0.90 REN (0.46) REN
SCHEMBL7326621 0.90 REN (0.42) REN
Hydrochloric Acid SCHEMBL7323642 0.89 REN (0.42) REN
SCHEMBL7316224 0.89 REN (0.40) RENPGC
Hydrochloric Acid SCHEMBL7355582 0.88 REN (0.40) RENPGC
SCHEMBL7323158 0.88 REN (0.43) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0231919-B1 N-HETEROCYCLIC ALCOHOL RENIN INHIBITORS E.R. Squibb & Sons, Inc. (US) 1993-01-20 — — EP claimed
EP-0231919-B1 N-HETEROCYCLIC ALCOHOL RENIN INHIBITORS E.R. Squibb & Sons, Inc. (US) 1993-01-20 — — EP disclosed
EP-0231919-A2 N-Heterocyclic alcohol renin inhibitors E.R. Squibb & Sons, Inc. (US) 1987-08-12 — — EP disclosed