SCHEMBL30542989

SCHEMBL30542989

C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 3/20 0.45
▸ NTSR1 P30989 2/20 0.42
▸ NTSR2 O95665 1/20 0.42
▸ CALCRL Q16602 3/20 0.41
▸ PTPN1 P18031 1/20 0.41
▸ OPRM1 P35372 2/20 0.41
▸ RAMP1 O60894 1/20 0.40
▸ OPRD1 P41143 2/20 0.39
▸ F2 P00734 1/20 0.39
▸ ACE P12821 1/20 0.39

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 0.93 PTPN1 (0.46) KEAP1NTSR1NTSR2PTPN1OPRM1
SCHEMBL30542990 0.89 OPRM1 (0.49) NTSR1NTSR2OPRM1OPRD1F2
SCHEMBL29783466 0.83 NPY2R (0.43) CALCRL
SCHEMBL29641591 0.83 KEAP1 (0.49) KEAP1CALCRLPTPN1
SCHEMBL31670622 0.83 NTSR1 (0.45) NTSR1NTSR2OPRD1
SCHEMBL29975079 0.83 APLNR (0.45) KEAP1OPRM1OPRD1F2
SCHEMBL7976787 0.82 KEAP1 (0.46) KEAP1NTSR1NTSR2CALCRLOPRM1
SCHEMBL7976782 0.82 KEAP1 (0.46) KEAP1NTSR1NTSR2CALCRLOPRM1
SCHEMBL29493717 0.82 NTSR2 (0.42) NTSR1NTSR2OPRM1OPRD1F2
SCHEMBL30542977 0.82 OPRM1 (0.46) NTSR1NTSR2OPRM1OPRD1F2

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-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 claimed
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
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