SCHEMBL30542984

SCHEMBL30542984

C[C@@H](O)[C@H](N)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NTSR2 O95665 3/20 0.47
▸ NTSR1 P30989 3/20 0.47
▸ ITGB3 P05106 3/20 0.43
▸ ITGA2B P08514 3/20 0.43
▸ F2 P00734 1/20 0.43
▸ BDKRB2 P30411 1/20 0.42
▸ ACE P12821 2/20 0.41
▸ OPRM1 P35372 1/20 0.41
▸ OPRD1 P41143 1/20 0.41
▸ RAMP3 O60896 3/20 0.41
▸ CALCR P30988 3/20 0.41

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
SCHEMBL30542974 0.88 PTPN1 (0.46) NTSR2NTSR1F2OPRM1OPRD1
SCHEMBL31693369 0.86 ITGB3 (0.47) NTSR2NTSR1ITGB3ITGA2BF2
SCHEMBL30800558 0.85 ACE (0.54) F2ACE
SCHEMBL29363977 0.84 F2 (0.49) NTSR2NTSR1ITGB3ITGA2BF2
SCHEMBL30400286 0.84 NTSR1 (0.53) NTSR2NTSR1
SCHEMBL30542977 0.83 OPRM1 (0.46) NTSR2NTSR1F2BDKRB2OPRM1
SCHEMBL30974457 0.83 GRB2 (0.52) NTSR2NTSR1F2ACEOPRM1
SCHEMBL29679816 0.83 OPRM1 (0.49) NTSR2NTSR1F2ACEOPRM1
SCHEMBL30015284 0.83 RAMP3 (0.48) OPRM1OPRD1RAMP3CALCR
SCHEMBL31586540 0.82 NPY2R (0.49) NTSR2NTSR1RAMP3CALCR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112213401-B Donkey-derived characteristic peptide of donkey-hide gelatin and donkey-hide gelatin product and identification method of donkey-hide gelatin product 南京中医药大学 2023-06-16 — — CN disclosed
Send feedback