SCHEMBL30208670

SCHEMBL30208670

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](Cc1c[nH]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 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 9/20 0.41
▸ SCTR P47872 1/20 0.41
▸ PSEN1 P49768 8/20 0.39
▸ PSEN2 P49810 8/20 0.39
▸ APH1B Q8WW43 8/20 0.39
▸ NCSTN Q92542 8/20 0.39
▸ APH1A Q96BI3 8/20 0.39
▸ PSENEN Q9NZ42 8/20 0.39
▸ OPRM1 P35372 1/20 0.37
▸ OPRD1 P41143 1/20 0.37
▸ OPRK1 P41145 1/20 0.37
▸ REN P00797 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
SCHEMBL30208667 0.96 GLP1R (0.44) GLP1RSCTR
SCHEMBL30208673 0.95 GLP1R (0.45) GLP1RSCTR
SCHEMBL31247960 0.86 OPRD1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL31247966 0.86 OPRM1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL30524338 0.86 PSEN1 (0.38) GLP1RSCTRPSEN1PSEN2APH1B
SCHEMBL30438040 0.86 GLP1R (0.38) GLP1RSCTRPSEN1PSEN2APH1B
SCHEMBL31247969 0.86 ABCB1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL38652065 0.85 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL30437554 0.85 PSEN1 (0.37) GLP1RSCTRPSEN1PSEN2APH1B
SCHEMBL30343346 0.85 PSEN1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A

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-2023000240-A1 LONG-ACTING GLP-1 POLYPEPTIDE ANALOGUE, AND PREPARATION METHOD THEREFOR AND USE THEREOF 青岛博睿精创科技有限公司 2023-01-26 — — WO disclosed
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