SCHEMBL29474446

SCHEMBL29474446

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

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ EPHA2 P29317 4/20 0.57
▸ OPRM1 P35372 6/20 0.56
▸ OPRD1 P41143 4/20 0.56
▸ NMUR2 Q9GZQ4 2/20 0.53
▸ NMUR1 Q9HB89 2/20 0.53
▸ CALCRL Q16602 3/20 0.52
▸ CXCR4 P61073 1/20 0.51
▸ OPRK1 P41145 2/20 0.50
▸ RAMP1 O60894 1/20 0.50
▸ KEAP1 Q14145 1/20 0.50

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
SCHEMBL30932611 0.94 EPHA2 (0.59) EPHA2OPRM1OPRD1NMUR2NMUR1
SCHEMBL30003633 0.93 EPHA2 (0.59) EPHA2OPRM1OPRD1NMUR2NMUR1
SCHEMBL31019921 0.91 EPHA2 (0.59) EPHA2OPRM1OPRD1NMUR2NMUR1
SCHEMBL31356488 0.90 EPHA2 (0.58) EPHA2OPRM1OPRD1NMUR2NMUR1
SCHEMBL29474445 0.88 RAMP3 (0.50) EPHA2NMUR2NMUR1CXCR4
SCHEMBL31741322 0.86 EPHA2 (0.66) EPHA2OPRM1OPRD1NMUR2NMUR1
SCHEMBL30799488 0.86 OPRM1 (0.57) EPHA2OPRM1NMUR2NMUR1OPRK1
SCHEMBL29464014 0.86 OPRM1 (0.62) EPHA2OPRM1NMUR2NMUR1OPRK1
SCHEMBL32685254 0.85 NMUR2 (0.60) EPHA2OPRM1NMUR2NMUR1OPRK1
SCHEMBL30745226 0.85 F2 (0.55) EPHA2OPRM1OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118406109-B Clam alpha-glucosidase inhibitory peptide and screening method and application thereof 鲁东大学 2024-08-30 — — CN disclosed
CN-118406109-A Clam alpha-glucosidase inhibitory peptide and screening method and application thereof 鲁东大学 2024-07-30 — — CN disclosed
CN-111961115-B Umami peptide and preparation method and application thereof 宁波大学 2022-03-11 — — CN disclosed
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