SCHEMBL30646307

SCHEMBL30646307

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

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 18/20 0.52
▸ OPRM1 P35372 10/20 0.52
▸ OPRK1 P41145 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
SCHEMBL30426861 0.93 OPRD1 (0.56) OPRD1OPRM1OPRK1
SCHEMBL29723185 0.88 OPRD1 (0.53) OPRD1OPRM1OPRK1
SCHEMBL29531463 0.87 OPRD1 (0.46) OPRD1OPRM1OPRK1
SCHEMBL30843955 0.87 OPRD1 (0.46) OPRD1OPRM1OPRK1
SCHEMBL30274819 0.87 OPRD1 (0.51) OPRD1OPRM1OPRK1
SCHEMBL31256977 0.87 OPRD1 (0.59) OPRD1OPRM1OPRK1
SCHEMBL29705076 0.87 OPRD1 (0.45) OPRD1OPRM1OPRK1
SCHEMBL30007693 0.86 OPRD1 (0.48) OPRD1OPRM1OPRK1
SCHEMBL31257053 0.86 OPRD1 (0.53) OPRD1OPRM1OPRK1
SCHEMBL29461970 0.85 OPRD1 (0.49) OPRD1OPRM1OPRK1

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-4275688-A2 METHOD OF AMELIORATING OR PREVENTING THE WORSENING OR THE PROGRESSION OF SYMPTOMS OF BPH Nymox Corporation (BS) 2023-11-15 — — EP disclosed
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