SCHEMBL29723065

SCHEMBL29723065

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

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 16/20 0.51
▸ OPRM1 P35372 11/20 0.51
▸ OPRK1 P41145 2/20 0.51

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
SCHEMBL31257053 0.98 OPRD1 (0.53) OPRD1OPRM1OPRK1
SCHEMBL29723185 0.96 OPRD1 (0.53) OPRD1OPRM1OPRK1
SCHEMBL30629018 0.91 MME (0.47) OPRD1OPRM1
SCHEMBL31006409 0.89 MME (0.47) OPRD1OPRM1
SCHEMBL31259944 0.89 MME (0.47) OPRD1OPRM1
SCHEMBL38650869 0.89 MME (0.47) OPRD1OPRM1
SCHEMBL31031516 0.89 OPRD1 (0.51) OPRD1OPRM1OPRK1
SCHEMBL29519597 0.89 OPRD1 (0.50) OPRD1OPRM1OPRK1
SCHEMBL29577267 0.89 MME (0.53) OPRD1OPRM1OPRK1
SCHEMBL29577963 0.89 MME (0.53) 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
CN-114652812-A Composition for treating alcoholic gastric injury and gastric ulcer and preparation method and application thereof 上海朗泰凯尔生物技术有限公司 2022-06-24 — — CN disclosed
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