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Sugi Predict / Compounds / SCHEMBL7309924

SCHEMBL7309924

SCHEMBL7309924

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

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 20/20 0.55
▸ PGC P20142 1/20 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
SCHEMBL7314662 1.00 REN (0.55) RENPGC
Acetic Acid SCHEMBL7326759 0.99 REN (0.54) RENPGC
SCHEMBL7432435 0.91 REN (0.52) RENPGC
SCHEMBL7374861 0.90 REN (0.60) RENPGC
SCHEMBL7366961 0.90 REN (0.48) RENPGC
SCHEMBL7373753 0.90 REN (0.63) RENPGC
SCHEMBL7369515 0.90 REN (0.56) REN
SCHEMBL7324676 0.90 REN (0.48) REN
SCHEMBL7324744 0.90 REN (0.48) REN
SCHEMBL7293684 0.89 REN (0.50) 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