SCHEMBL9322087

SCHEMBL9322087

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

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 20/20 0.54
▸ CTSD P07339 1/20 0.45

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
SCHEMBL7436682 0.83 REN (0.73) REN
SCHEMBL9388320 0.79 REN (0.48) RENCTSD
SCHEMBL9322095 0.79 REN (0.79) REN
SCHEMBL9458632 0.79 REN (0.58) REN
SCHEMBL9391787 0.76 REN (0.49) RENCTSD
SCHEMBL7383323 0.74 REN (0.49) RENCTSD
SCHEMBL7431999 0.73 REN (0.39) RENCTSD
SCHEMBL7389545 0.73 REN (0.51) RENCTSD
SCHEMBL8904006 0.72 REN (0.69) REN
SCHEMBL7388466 0.71 REN (0.49) RENCTSD

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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