SCHEMBL30285014

SCHEMBL30285014

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

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.58
MAPK9 P45984 1/20 0.58
MAPK10 P53779 1/20 0.58
OPRM1 P35372 7/20 0.50
OPRK1 P41145 7/20 0.50
EPHA2 P29317 2/20 0.50
APLNR P35414 1/20 0.48
NMUR2 Q9GZQ4 3/20 0.47
NMUR1 Q9HB89 3/20 0.47
NTSR2 O95665 1/20 0.47
NTSR1 P30989 1/20 0.47
SORT1 Q99523 1/20 0.47
NPY1R P25929 1/20 0.47
F2 P00734 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
SCHEMBL30285008 0.91 MAPK8 (0.59) MAPK8MAPK9MAPK10OPRM1OPRK1
SCHEMBL29697009 0.86 NMUR2 (0.57) MAPK8MAPK9MAPK10OPRM1OPRK1
SCHEMBL31289578 0.85 OPRM1 (0.57) OPRM1OPRK1EPHA2NMUR2NMUR1
SCHEMBL29606976 0.84 MAPK8 (0.63) MAPK8MAPK9MAPK10NTSR2NTSR1
SCHEMBL30733269 0.84 EPHA2 (0.55) OPRM1OPRK1EPHA2NMUR2NMUR1
SCHEMBL29608162 0.83 MAPK8 (0.63) MAPK8MAPK9MAPK10NTSR2NTSR1
SCHEMBL29978208 0.83 MAPK8 (0.50) MAPK8MAPK9MAPK10OPRM1OPRK1
SCHEMBL31679397 0.83 EPHA2 (0.56) MAPK8MAPK9MAPK10OPRM1EPHA2
SCHEMBL29959591 0.83 XIAP (0.49) MAPK8MAPK9MAPK10NMUR2NMUR1
SCHEMBL29933882 0.82 REN (0.56) NTSR2NTSR1SORT1F2

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-115785219-A Bran active peptide with function of relieving metabolic syndrome as well as preparation method and application thereof 山西大学 2023-03-14 CN claimed
CN-115785219-A Bran active peptide with function of relieving metabolic syndrome as well as preparation method and application thereof 山西大学 2023-03-14 CN disclosed