SCHEMBL30733355

SCHEMBL30733355

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

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHA2 P29317 2/20 0.59
CALCRL Q16602 6/20 0.57
OPRM1 P35372 5/20 0.53
OPRD1 P41143 2/20 0.53
SLC6A2 P23975 1/20 0.53
AGTR1 P30556 1/20 0.52
AGTR2 P50052 1/20 0.52
MAPK8 P45983 1/20 0.52
MAPK9 P45984 1/20 0.52
MAPK10 P53779 1/20 0.52
RAMP1 O60894 1/20 0.52
OPRK1 P41145 3/20 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
SCHEMBL30733330 0.95 EPHA2 (0.58) EPHA2CALCRLOPRM1AGTR1AGTR2
SCHEMBL31206300 0.94 EPHA2 (0.58) EPHA2CALCRLOPRM1OPRD1SLC6A2
SCHEMBL30678914 0.90 EPHA2 (0.57) EPHA2CALCRLOPRM1SLC6A2AGTR1
SCHEMBL31362684 0.90 CALCRL (0.60) CALCRLOPRM1OPRD1SLC6A2AGTR1
SCHEMBL31307252 0.89 EPHA2 (0.63) EPHA2OPRM1OPRD1SLC6A2AGTR1
SCHEMBL29934589 0.87 OPRM1 (0.58) EPHA2OPRM1OPRD1SLC6A2OPRK1
SCHEMBL31091491 0.86 EPHA2 (0.61) EPHA2OPRM1OPRD1SLC6A2AGTR1
SCHEMBL30733269 0.86 EPHA2 (0.55) EPHA2OPRM1OPRD1SLC6A2OPRK1
SCHEMBL30586741 0.86 MAPK8 (0.55) EPHA2CALCRLSLC6A2MAPK8MAPK9
SCHEMBL30973971 0.86 EPHA2 (0.58) EPHA2OPRM1OPRD1OPRK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117486973-B Hypsizygus marmoreus bitter peptide and extraction method and application thereof 陕西科技大学 2024-11-15 CN disclosed
CN-117486973-B Hypsizygus marmoreus bitter peptide and extraction method and application thereof 陕西科技大学 2024-11-15 CN disclosed
CN-117486973-A Hypsizygus marmoreus bitter peptide and extraction method and application thereof 陕西科技大学 2024-02-02 CN disclosed
CN-117486972-A Sea fresh mushroom salty peptide and extraction method and application thereof 陕西科技大学 2024-02-02 CN disclosed