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Sugi Predict / Compounds / SCHEMBL30586607

SCHEMBL30586607

SCHEMBL30586607

CSCC[C@H](NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 6/20 0.54
▸ OPRM1 P35372 3/20 0.53
▸ CALCR P30988 3/20 0.53
▸ APLNR P35414 2/20 0.52
▸ F2 P00734 1/20 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
SCHEMBL30528331 0.91 OPRD1 (0.54) OPRD1OPRM1
SCHEMBL30586591 0.90 CALCR (0.58) OPRD1CALCR
SCHEMBL31135242 0.87 F2 (0.58) OPRD1OPRM1APLNRF2
SCHEMBL29679769 0.86 OPRD1 (0.56) OPRD1OPRM1
SCHEMBL31433208 0.86 CALCR (0.54) OPRD1OPRM1CALCR
SCHEMBL30543190 0.85 F2 (0.61) OPRD1OPRM1APLNRF2
SCHEMBL30692668 0.85 CALCR (0.62) CALCRF2
SCHEMBL31433218 0.85 OPRD1 (0.57) OPRD1OPRM1CALCRF2
SCHEMBL31182528 0.85 CALCR (0.64) OPRD1OPRM1CALCR
SCHEMBL29367698 0.85 NPY2R (0.60) OPRM1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116444649-A Milk active peptide GITDPLFKGM, GITDPLFKG and its obtaining method and use 内蒙古伊利实业集团股份有限公司 2023-07-18 — — CN claimed
CN-116444649-B Milk active peptide GITDPLFKGM, GITDPLFKG and its obtaining method and use 内蒙古伊利实业集团股份有限公司 2024-05-24 — — CN disclosed
CN-116444649-B Milk active peptide GITDPLFKGM, GITDPLFKG and its obtaining method and use 内蒙古伊利实业集团股份有限公司 2024-05-24 — — CN disclosed
CN-116444649-A Milk active peptide GITDPLFKGM, GITDPLFKG and its obtaining method and use 内蒙古伊利实业集团股份有限公司 2023-07-18 — — CN disclosed
CN-116444649-A Milk active peptide GITDPLFKGM, GITDPLFKG and its obtaining method and use 内蒙古伊利实业集团股份有限公司 2023-07-18 — — CN disclosed
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