SCHEMBL31598487

SCHEMBL31598487

N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 4/20 0.60
▸ OPRD1 P41143 4/20 0.60
▸ C5AR1 P21730 1/20 0.60
▸ F2 P00734 4/20 0.56
▸ CTSL P07711 3/20 0.54
▸ CTSS P25774 3/20 0.54
▸ CTSK P43235 3/20 0.54
▸ APLNR P35414 3/20 0.53
▸ NMUR2 Q9GZQ4 1/20 0.53
▸ NMUR1 Q9HB89 1/20 0.53
▸ CTSH P09668 1/20 0.53
▸ EPHA2 P29317 1/20 0.52
▸ CXCR4 P61073 1/20 0.52

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
SCHEMBL31598478 1.00 OPRM1 (0.60) OPRM1OPRD1C5AR1F2CTSL
SCHEMBL30948380 0.89 APLNR (0.52) OPRM1OPRD1C5AR1F2CTSL
SCHEMBL31694509 0.87 C5AR1 (0.73) C5AR1CTSLCTSSCTSKCTSH
SCHEMBL30495678 0.86 C5AR1 (0.66) C5AR1APLNRCXCR4
SCHEMBL30185050 0.86 APLNR (0.62) F2CTSLCTSSCTSKAPLNR
SCHEMBL30526201 0.86 OPRM1 (0.57) OPRM1F2CTSLCTSSCTSK
SCHEMBL29641118 0.86 C5AR1 (0.60) OPRM1OPRD1C5AR1F2APLNR
SCHEMBL30495600 0.86 APLNR (0.61) C5AR1F2APLNRNMUR2NMUR1
SCHEMBL30574265 0.86 C5AR1 (0.56) OPRM1OPRD1C5AR1F2CTSL
SCHEMBL31688333 0.86 APLNR (0.65) C5AR1F2APLNR

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-120058857-A Crab flavor peptide and preparation method and application thereof 天津科技大学 2025-05-30 — — CN disclosed
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