SCHEMBL31362672

SCHEMBL31362672

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

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NMUR2 Q9GZQ4 4/20 0.50
▸ NMUR1 Q9HB89 4/20 0.50
▸ MAPK8 P45983 1/20 0.49
▸ MAPK9 P45984 1/20 0.49
▸ MAPK10 P53779 1/20 0.49
▸ OPRD1 P41143 3/20 0.49
▸ OPRM1 P35372 1/20 0.49
▸ LNPEP Q9UIQ6 3/20 0.48
▸ ANPEP P15144 1/20 0.47
▸ EPHA2 P29317 2/20 0.47
▸ AGTR1 P30556 1/20 0.47
▸ AGTR2 P50052 1/20 0.47
▸ XIAP P98170 1/20 0.47
▸ CALCRL Q16602 2/20 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
SCHEMBL31362702 0.96 MAPK8 (0.51) NMUR2NMUR1MAPK8MAPK9MAPK10
SCHEMBL31362700 0.92 NTSR2 (0.51) NMUR2NMUR1MAPK8MAPK9MAPK10
SCHEMBL29727282 0.89 NTSR2 (0.52) OPRD1AGTR1AGTR2CALCRL
SCHEMBL30459251 0.85 REN (0.53) MAPK8MAPK9MAPK10OPRD1AGTR1
SCHEMBL31362676 0.85 CALCRL (0.51) NMUR2NMUR1OPRD1OPRM1EPHA2
SCHEMBL30015256 0.84 MAPK8 (0.56) NMUR2NMUR1MAPK8MAPK9MAPK10
SCHEMBL30385933 0.83 GRB2 (0.48) NMUR2NMUR1OPRD1OPRM1XIAP
SCHEMBL30586741 0.82 MAPK8 (0.55) MAPK8MAPK9MAPK10EPHA2CALCRL
SCHEMBL30457966 0.82 MAPK8 (0.53) MAPK8MAPK9MAPK10OPRD1OPRM1
SCHEMBL30458238 0.82 OPRM1 (0.57) NMUR2NMUR1OPRD1OPRM1EPHA2

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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