SCHEMBL31362702

SCHEMBL31362702

CC[C@H](C)[C@H](NC(=O)[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@@H](C)CC)C(=O)N[C@H](C(=O)O)C(C)C

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 1/20 0.51
▸ MAPK9 P45984 1/20 0.51
▸ MAPK10 P53779 1/20 0.51
▸ AGTR1 P30556 1/20 0.50
▸ AGTR2 P50052 1/20 0.50
▸ OPRD1 P41143 3/20 0.49
▸ NTSR1 P30989 3/20 0.49
▸ LNPEP Q9UIQ6 2/20 0.49
▸ CALCRL Q16602 2/20 0.49
▸ NTSR2 O95665 2/20 0.49
▸ REN P00797 3/20 0.48
▸ NMUR2 Q9GZQ4 1/20 0.48
▸ NMUR1 Q9HB89 1/20 0.48
▸ EPHA2 P29317 1/20 0.48
▸ SORT1 Q99523 1/20 0.48

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
SCHEMBL31362672 0.96 NMUR2 (0.50) MAPK8MAPK9MAPK10AGTR1AGTR2
SCHEMBL29727282 0.93 NTSR2 (0.52) AGTR1AGTR2OPRD1NTSR1CALCRL
SCHEMBL31362700 0.88 NTSR2 (0.51) MAPK8MAPK9MAPK10OPRD1NTSR1
SCHEMBL30015256 0.88 MAPK8 (0.56) MAPK8MAPK9MAPK10OPRD1NMUR2
SCHEMBL30459251 0.86 REN (0.53) MAPK8MAPK9MAPK10AGTR1AGTR2
SCHEMBL31362676 0.86 CALCRL (0.51) OPRD1CALCRLNMUR2NMUR1EPHA2
SCHEMBL30974287 0.83 MAPK8 (0.60) MAPK8MAPK9MAPK10NTSR1NMUR2
SCHEMBL31124657 0.83 EPHA2 (0.57) MAPK8MAPK9MAPK10OPRD1NTSR1
SCHEMBL30457966 0.83 MAPK8 (0.53) MAPK8MAPK9MAPK10AGTR1AGTR2
SCHEMBL30678914 0.83 EPHA2 (0.57) MAPK8MAPK9MAPK10AGTR1AGTR2

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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