SCHEMBL30586584

SCHEMBL30586584

CC[C@H](C)[C@H](NC(=O)CN)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)O)[C@@H](C)O

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 7/20 0.59
▸ OPRM1 P35372 1/20 0.57
▸ OPRK1 P41145 1/20 0.57
▸ NTSR1 P30989 4/20 0.56
▸ REN P00797 2/20 0.55
▸ NTSR2 O95665 1/20 0.55

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
SCHEMBL30586591 0.92 CALCR (0.58) OPRD1NTSR1REN
SCHEMBL30528331 0.88 OPRD1 (0.54) OPRD1OPRM1OPRK1REN
SCHEMBL30607467 0.87 CALCR (0.64) —
SCHEMBL30903286 0.86 KEAP1 (0.60) OPRD1OPRM1OPRK1
SCHEMBL29679653 0.86 OPRD1 (0.56) OPRD1OPRM1NTSR1
SCHEMBL31683251 0.84 OPRD1 (0.60) OPRD1OPRM1OPRK1NTSR1
SCHEMBL29655865 0.84 OPRD1 (0.61) OPRD1OPRM1OPRK1
SCHEMBL31182783 0.84 CALCR (0.63) —
SCHEMBL14757595 0.84 OPRD1 (0.66) OPRD1OPRM1OPRK1NTSR1NTSR2
SCHEMBL29679723 0.84 OPRD1 (0.55) OPRD1REN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
Send feedback