SCHEMBL31072322

SCHEMBL31072322

N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 1/20 0.55
▸ CXCL8 P10145 1/20 0.53

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
SCHEMBL30311056 0.90 DPP3 (0.52) OPRM1
SCHEMBL29966903 0.89 DPP4 (0.54) —
SCHEMBL30272451 0.88 CCKBR (0.55) —
SCHEMBL30512650 0.88 CXCL8 (0.57) OPRM1CXCL8
SCHEMBL30310984 0.87 CXCL8 (0.57) CXCL8
SCHEMBL30949448 0.85 KISS1R (0.58) CXCL8
SCHEMBL31606474 0.85 AGTR1 (0.56) OPRM1CXCL8
SCHEMBL30626308 0.84 OPRM1 (0.62) OPRM1
SCHEMBL20749886 0.84 OPRM1 (0.63) OPRM1
SCHEMBL31475666 0.84 CCKBR (0.54) —

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-118373879-A Highland barley oligopeptide for treating metabolic syndrome 中国农业大学 2024-07-23 — — CN disclosed
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