SCHEMBL29483961

SCHEMBL29483961

CSCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CALCR P30988 5/20 0.53
▸ RAMP3 O60896 3/20 0.53
▸ APLNR P35414 1/20 0.53
▸ MAPK8 P45983 1/20 0.51
▸ MAPK9 P45984 1/20 0.51
▸ MAPK10 P53779 1/20 0.51
▸ EPHA2 P29317 2/20 0.50
▸ IL23R Q5VWK5 1/20 0.49
▸ MC4R P32245 1/20 0.48
▸ MC5R P33032 1/20 0.48
▸ MC3R P41968 1/20 0.48
▸ MC1R Q01726 1/20 0.48
▸ OPRM1 P35372 1/20 0.48
▸ OPRD1 P41143 1/20 0.48
▸ CXCL8 P10145 2/20 0.48
▸ SLC6A2 P23975 1/20 0.48
▸ NTSR1 P30989 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
SCHEMBL30536701 0.86 OPRM1 (0.58) APLNREPHA2MC4RMC5RMC3R
SCHEMBL31174208 0.86 CALCR (0.62) CALCRRAMP3MAPK8MAPK9MAPK10
SCHEMBL31452906 0.85 KDM1A (0.57) CALCRRAMP3APLNREPHA2NTSR1
SCHEMBL38660514 0.85 RAMP3 (0.58) CALCRRAMP3MAPK8MAPK9MAPK10
SCHEMBL29695581 0.84 SLC6A2 (0.60) CALCRRAMP3EPHA2OPRM1OPRD1
SCHEMBL5163482 0.83 NMUR2 (0.60) CALCRRAMP3APLNRCXCL8NTSR1
SCHEMBL30906542 0.83 EPHA2 (0.64) CALCRRAMP3MAPK8MAPK9MAPK10
SCHEMBL30901005 0.83 KDM1A (0.59) CALCRRAMP3EPHA2IL23R
SCHEMBL31679323 0.83 OPRM1 (0.56) APLNREPHA2OPRM1OPRD1
SCHEMBL31415954 0.83 KDM1A (0.56) OPRM1NTSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110105431-B Sesame polypeptide, extraction method thereof and application of sesame polypeptide in preparation of anti-oxidation and/or blood pressure lowering medicines 河南省农业科学院 2022-03-29 — — CN claimed
CN-110105431-B Sesame polypeptide, extraction method thereof and application of sesame polypeptide in preparation of anti-oxidation and/or blood pressure lowering medicines 河南省农业科学院 2022-03-29 — — CN disclosed
CN-110105431-B Sesame polypeptide, extraction method thereof and application of sesame polypeptide in preparation of anti-oxidation and/or blood pressure lowering medicines 河南省农业科学院 2022-03-29 — — CN disclosed
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