SCHEMBL30467091

SCHEMBL30467091

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

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 4/20 0.43
▸ OPRD1 P41143 4/20 0.43
▸ CALCRL Q16602 4/20 0.38
▸ ITGB1 P05556 1/20 0.37
▸ ITGA4 P13612 1/20 0.37
▸ RAMP1 O60894 1/20 0.36
▸ PTGS1 P23219 1/20 0.36
▸ GSTK1 Q9Y2Q3 1/20 0.36
▸ DPP4 P27487 1/20 0.36
▸ FAP Q12884 1/20 0.36
▸ DPP8 Q6V1X1 1/20 0.36
▸ DPP9 Q86TI2 1/20 0.36
▸ DPP7 Q9UHL4 1/20 0.36
▸ BDKRB2 P30411 1/20 0.36
▸ KEAP1 Q14145 1/20 0.36
▸ PSMB9 P28065 1/20 0.36
▸ CAPN1 P07384 2/20 0.36

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
SCHEMBL29760955 0.89 OPRM1 (0.41) OPRM1OPRD1CALCRLRAMP1PSMB9
SCHEMBL30085356 0.88 NAA50 (0.46) OPRM1OPRD1KEAP1PSMB9CAPN1
SCHEMBL31042468 0.86 OPRM1 (0.42) OPRM1OPRD1CALCRLBDKRB2CAPN1
SCHEMBL29763113 0.86 CAPN1 (0.41) OPRM1OPRD1CALCRLDPP4FAP
SCHEMBL32677766 0.85 CAPN1 (0.48) OPRM1OPRD1CALCRLBDKRB2CAPN1
SCHEMBL32677764 0.85 CAPN1 (0.48) OPRM1OPRD1CALCRLBDKRB2CAPN1
SCHEMBL29811189 0.84 CALCRL (0.45) OPRM1OPRD1CALCRLRAMP1CAPN1
SCHEMBL30242229 0.84 OPRM1 (0.45) OPRM1OPRD1CALCRLBDKRB2KEAP1
SCHEMBL30431697 0.83 F2 (0.45) —
SCHEMBL30138992 0.82 CAPN1 (0.40) OPRM1OPRD1ITGB1ITGA4DPP4

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-111423506-B GLP-1 compound 成都奥达生物科技有限公司 2023-06-27 — — CN claimed
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