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SCHEMBL31210152

SCHEMBL31210152

CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OC(C)(C)C)cc1)NC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)[C@H](COC(C)(C)C)NC(=O)[C@H](Cc1ccc(OC(C)(C)C)cc1)NC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)[C@H](COC(C)(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)[C@H](COC(C)(C)C)NC(=O)[C@H](Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)NC(=O)OC(C)(C)C)[C@@H](C)OC(C)(C)C)[C@@H](C)OC(C)(C)C)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PSMB8 P28062 1/20 0.37
▸ PSMB9 P28065 1/20 0.37
▸ PSMB5 P28074 1/20 0.37
▸ CCKBR P32239 7/20 0.36
▸ CCKAR P32238 3/20 0.36
▸ OPRM1 P35372 5/20 0.36
▸ OPRD1 P41143 5/20 0.36
▸ OPRK1 P41145 5/20 0.36
▸ GLP1R P43220 1/20 0.36
▸ SCTR P47872 1/20 0.36
▸ REN P00797 4/20 0.34
▸ PSEN1 P49768 1/20 0.34
▸ PSEN2 P49810 1/20 0.34
▸ APH1B Q8WW43 1/20 0.34
▸ NCSTN Q92542 1/20 0.34
▸ APH1A Q96BI3 1/20 0.34
▸ PSENEN Q9NZ42 1/20 0.34
▸ AMY2A P04746 4/20 0.33

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
SCHEMBL30242087 0.95 OPRM1 (0.42) OPRM1OPRD1OPRK1GLP1RSCTR
SCHEMBL31461629 0.92 GLP1R (0.43) OPRM1OPRD1OPRK1GLP1RSCTR
SCHEMBL30175817 0.92 OPRM1 (0.40) OPRM1OPRD1OPRK1GLP1RSCTR
SCHEMBL31461628 0.90 OPRM1 (0.45) OPRM1OPRD1OPRK1GLP1RSCTR
SCHEMBL31175849 0.90 OPRM1 (0.39) OPRM1OPRD1OPRK1GLP1RSCTR
SCHEMBL31512462 0.89 GLP1R (0.41) OPRM1OPRD1OPRK1GLP1RSCTR
SCHEMBL30884234 0.89 OPRM1 (0.44) OPRM1OPRD1OPRK1GLP1RSCTR
SCHEMBL30175807 0.88 REN (0.39) OPRM1OPRD1OPRK1GLP1RSCTR
SCHEMBL31255808 0.88 OPRM1 (0.43) OPRM1OPRD1OPRK1GLP1RSCTR
SCHEMBL31094168 0.87 REN (0.38) PSMB8PSMB9PSMB5CCKBRCCKAR

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-114401981-B Glucagon production method 北京费森尤斯卡比医药有限公司 2024-11-08 — — CN disclosed
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