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SCHEMBL31002038

SCHEMBL31002038

CC(C)[C@H](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)OC(C)(C)C)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)[C@@H](C)OC(C)(C)C)[C@@H](C)OC(C)(C)C)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 7/20 0.38
▸ OPRD1 P41143 7/20 0.38
▸ OPRK1 P41145 7/20 0.38
▸ GLP1R P43220 5/20 0.36
▸ SCTR P47872 1/20 0.36
▸ PSEN1 P49768 8/20 0.35
▸ PSEN2 P49810 8/20 0.35
▸ APH1B Q8WW43 8/20 0.35
▸ NCSTN Q92542 8/20 0.35
▸ APH1A Q96BI3 8/20 0.35
▸ PSENEN Q9NZ42 8/20 0.35

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
SCHEMBL30524338 0.92 PSEN1 (0.38) OPRM1OPRD1OPRK1GLP1RSCTR
SCHEMBL31084236 0.91 BACE1 (0.38) OPRM1OPRD1OPRK1
SCHEMBL30343346 0.91 PSEN1 (0.36) OPRM1OPRD1OPRK1PSEN1PSEN2
SCHEMBL30437554 0.90 PSEN1 (0.37) OPRM1OPRD1OPRK1GLP1RSCTR
SCHEMBL31567827 0.90 GLP1R (0.44) OPRM1OPRD1OPRK1GLP1RSCTR
SCHEMBL30524340 0.88 PSEN1 (0.37) OPRM1OPRD1OPRK1PSEN1PSEN2
SCHEMBL30250211 0.88 OPRD1 (0.36) OPRM1OPRD1OPRK1PSEN1PSEN2
SCHEMBL34461945 0.86 REN (0.40) OPRD1
SCHEMBL30343345 0.86 OPRM1 (0.45) OPRM1OPRD1OPRK1GLP1RSCTR
SCHEMBL31461629 0.86 GLP1R (0.43) OPRM1OPRD1OPRK1GLP1RSCTR

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
WO-2024159569-A1 METHOD FOR SYNTHESIZING SEMAGLUTIDE 浙江九洲药业股份有限公司 2024-08-08 — — WO disclosed
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