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SCHEMBL30350078

SCHEMBL30350078

CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CO)[C@@H](C)CC)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)O)C(C)C)[C@@H](C)O

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 7/20 0.61
▸ CALCR P30988 4/20 0.58
▸ OPRM1 P35372 1/20 0.57
▸ NTSR1 P30989 2/20 0.55

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
SCHEMBL30350085 0.91 NPY2R (0.65) CALCR
SCHEMBL30958881 0.89 CALCR (0.61) OPRD1CALCROPRM1NTSR1
SCHEMBL30607348 0.89 NPY2R (0.62) CALCRNTSR1
SCHEMBL38662089 0.88 OPRD1 (0.55) OPRD1CALCROPRM1NTSR1
SCHEMBL29558249 0.87 OPRD1 (0.59) OPRD1CALCROPRM1
SCHEMBL31182911 0.87 CALCR (0.65) OPRD1CALCROPRM1
SCHEMBL31575688 0.87 CALCR (0.62) OPRD1CALCROPRM1
SCHEMBL30607403 0.86 CALCR (0.67) OPRD1CALCROPRM1
SCHEMBL30376042 0.86 CALCR (0.60) OPRD1CALCR
SCHEMBL29430161 0.86 NPY2R (0.56) CALCR

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-115925960-A Antibody or antigen binding fragment capable of being specifically bound with creatine kinase isoenzyme and application thereof 杭州傲锐生物医药科技有限公司 2023-04-07 — — CN disclosed
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