SCHEMBL30463286

SCHEMBL30463286

NC(=O)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 5/20 0.64
▸ OPRD1 P41143 4/20 0.64
▸ NMUR2 Q9GZQ4 3/20 0.52
▸ NMUR1 Q9HB89 3/20 0.52
▸ SLC6A2 P23975 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
SCHEMBL31406967 0.86 OPRM1 (0.64) OPRM1OPRD1NMUR2NMUR1
SCHEMBL30495676 0.85 OPRM1 (0.63) OPRM1OPRD1NMUR2NMUR1
SCHEMBL38650901 0.84 SLC6A2 (0.66) OPRM1OPRD1SLC6A2
SCHEMBL30792468 0.84 SLC6A2 (0.66) OPRM1OPRD1SLC6A2
SCHEMBL30495669 0.84 OPRD1 (0.64) OPRM1OPRD1NMUR2NMUR1
SCHEMBL38660346 0.84 OPRD1 (0.62) OPRM1OPRD1NMUR2NMUR1
SCHEMBL29939823 0.84 OPRM1 (0.63) OPRM1OPRD1NMUR2NMUR1SLC6A2
SCHEMBL30495428 0.84 OPRM1 (0.54) OPRM1OPRD1SLC6A2
SCHEMBL29404875 0.84 OPRM1 (0.63) OPRM1OPRD1NMUR2NMUR1SLC6A2
SCHEMBL29630405 0.83 SLC6A2 (0.59) OPRM1OPRD1SLC6A2

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
CN-116200385-A dsRNA for inhibiting rhizoctonia solani AG4 related genes and application thereof 河北农业大学 2023-06-02 — — CN disclosed
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