SCHEMBL7382612

SCHEMBL7382612

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)CSCC(=O)O

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 20/20 0.58
▸ PGC P20142 1/20 0.52

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
SCHEMBL7385073 0.93 REN (0.55) RENPGC
SCHEMBL7385192 0.91 REN (0.55) RENPGC
SCHEMBL10540148 0.91 REN (0.60) RENPGC
SCHEMBL7386090 0.89 REN (0.53) RENPGC
SCHEMBL7386767 0.88 REN (0.57) RENPGC
SCHEMBL7271925 0.88 REN (0.57) RENPGC
SCHEMBL7385114 0.87 REN (0.57) RENPGC
SCHEMBL7266084 0.87 REN (0.56) RENPGC
SCHEMBL9694434 0.86 REN (0.57) RENPGC
SCHEMBL9504686 0.86 REN (0.57) RENPGC

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-5114925-A Renin inhibitors containing the 2-[[(2R,3S)-3-amino-4-cyclohexyl-2-hydroxy-1-butyl]thio)alkanoyl moiety and the corresponding sulfoxide and sulfone derivatives MERCK & CO., INC. (US) 1992-05-19 — — US disclosed
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