SCHEMBL7445005

SCHEMBL7445005

CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)C(C(=O)O)C(N)C=O

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 9/20 0.41
▸ REN P00797 1/20 0.36
▸ OPRM1 P35372 4/20 0.36
▸ OPRK1 P41145 1/20 0.36
▸ YARS1 P54577 2/20 0.36
▸ CASP1 P29466 1/20 0.36

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
SCHEMBL7444999 0.84 OPRD1 (0.49) OPRD1CASP1
SCHEMBL30843955 0.81 OPRD1 (0.46) OPRD1OPRM1OPRK1
SCHEMBL29531463 0.81 OPRD1 (0.46) OPRD1OPRM1OPRK1
SCHEMBL4434143 0.80 SLC7A5 (0.48) OPRD1OPRM1YARS1
SCHEMBL4434130 0.80 SLC7A5 (0.48) OPRD1OPRM1YARS1
SCHEMBL23598458 0.80 SLC7A5 (0.48) OPRD1OPRM1YARS1
SCHEMBL9665005 0.80 SLC7A5 (0.48) OPRD1OPRM1YARS1
SCHEMBL9664998 0.80 SLC7A5 (0.48) OPRD1OPRM1YARS1
SCHEMBL31020880 0.80 NPY1R (0.49) OPRD1RENOPRM1
Hydrochloric Acid SCHEMBL20335514 0.80 SLC7A5 (0.47) OPRD1OPRM1YARS1

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
EP-0519748-A2 Peptidyl derivatives as inhibitors of interleukin-1B converting enzyme MERCK & CO. INC. (US) 1992-12-23 — — EP claimed
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