SCHEMBL9322095

SCHEMBL9322095

CC(C)CC(O)C(O)C(CC1CCCCC1)NC(=O)[C@H](Cc1csc(N)n1)NC(=O)[C@@H](N)Cc1ccccc1

nearest known ligand 0.79

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 20/20 0.79

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
SCHEMBL9458635 0.85 REN (1.00) REN
SCHEMBL9322087 0.79 REN (0.54) REN
SCHEMBL7394147 0.79 REN (0.70) REN
SCHEMBL7280171 0.79 REN (0.64) REN
SCHEMBL7389122 0.78 REN (0.72) REN
SCHEMBL7303652 0.77 REN (0.57) REN
SCHEMBL7391114 0.76 REN (0.65) REN
SCHEMBL10381528 0.76 REN (0.63) REN
SCHEMBL13754442 0.76 REN (0.65) REN
SCHEMBL10443607 0.75 REN (0.61) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0581899-A1 IMPROVED PROCESS FOR THE PREPARATION OF 1S-(1R*, 2S*, 3R*)]-N-(4-(MORPHOLINYLSULFONYL)-L-PHENYLALANYL-3-(2-AMINO-4-THIAZOLYL)-N- (1-CYCLOHEXYLMETHYL)-2,3-DIHYDROXY-5-METHYLHEXYL]-L-ALANINAMIDE WARNER-LAMBERT COMPANY (US) 1994-02-09 — — EP disclosed
WO-1992018486-A1 IMPROVED PROCESS FOR THE PREPARATION OF [1S-(1R*, 2S*, 3R*)]-N-(4-(MORPHOLINYLSULFONYL)-L-PHENYLALANYL-3-(2-AMINO-4-THIAZOLYL)-N-[(1-CYCLOHEXYLMETHYL)-2,3-DIHYDROXY-5-METHYLHEXYL]-L-ALANINAMIDE WARNER-LAMBERT COMPANY (US) 1992-10-29 — — WO disclosed
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