SCHEMBL31362676

SCHEMBL31362676

CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 3/20 0.51
▸ EPHA2 P29317 2/20 0.50
▸ OPRM1 P35372 7/20 0.49
▸ OPRK1 P41145 6/20 0.49
▸ NMUR2 Q9GZQ4 1/20 0.48
▸ NMUR1 Q9HB89 1/20 0.48
▸ AKT1 P31749 3/20 0.48
▸ ACE P12821 1/20 0.47
▸ OPRD1 P41143 1/20 0.47
▸ IL23R Q5VWK5 1/20 0.47

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
SCHEMBL31362627 0.91 MAPK8 (0.54) CALCRLEPHA2
SCHEMBL31362702 0.86 MAPK8 (0.51) CALCRLEPHA2NMUR2NMUR1OPRD1
SCHEMBL31362692 0.86 ACE (0.49) OPRM1OPRK1ACEOPRD1
SCHEMBL31362672 0.85 NMUR2 (0.50) CALCRLEPHA2OPRM1NMUR2NMUR1
SCHEMBL31267106 0.84 NMUR2 (0.61) EPHA2OPRM1NMUR2NMUR1OPRD1
SCHEMBL29408366 0.84 APLNR (0.41) OPRM1OPRK1NMUR2NMUR1ACE
SCHEMBL31267112 0.83 EPHA2 (0.58) EPHA2OPRM1OPRK1NMUR2NMUR1
SCHEMBL29531760 0.83 CALCRL (0.53) CALCRLEPHA2OPRM1OPRD1
SCHEMBL31267104 0.83 NMUR2 (0.54) CALCRLEPHA2OPRM1OPRK1NMUR2
SCHEMBL29727282 0.83 NTSR2 (0.52) CALCRLOPRD1

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-119390815-A Whey protein peptide, whey protein fermentation concentrate, and preparation method and application thereof 张少辉 2025-02-07 — — CN claimed
CN-119390815-A Whey protein peptide, whey protein fermentation concentrate, and preparation method and application thereof 张少辉 2025-02-07 — — CN disclosed
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