SCHEMBL7385114

SCHEMBL7385114

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

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 20/20 0.57
▸ PGC P20142 1/20 0.49

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
SCHEMBL7382612 0.87 REN (0.58) RENPGC
SCHEMBL9876239 0.87 REN (0.64) REN
SCHEMBL10763189 0.87 REN (0.64) REN
SCHEMBL9876304 0.87 REN (0.64) REN
SCHEMBL10763181 0.87 REN (0.64) REN
SCHEMBL9876303 0.87 REN (0.64) REN
SCHEMBL9876238 0.87 REN (0.64) REN
SCHEMBL10540148 0.86 REN (0.60) RENPGC
SCHEMBL9876595 0.86 REN (0.61) REN
SCHEMBL9876339 0.86 REN (0.63) 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-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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