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Sugi Predict / Compounds / SCHEMBL29367233

SCHEMBL29367233

SCHEMBL29367233

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=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)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.80

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 18/20 0.80
▸ GCGR P47871 9/20 0.80
▸ GIPR P48546 9/20 0.76
▸ CCKBR P32239 2/20 0.73
▸ NPY1R P25929 1/20 0.72
▸ NPY2R P49146 1/20 0.72
▸ NPY4R P50391 1/20 0.72
▸ NPY5R Q15761 1/20 0.72

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
SCHEMBL29367539 1.00 GLP1R (0.80) GLP1RGCGRGIPRCCKBRNPY1R
SCHEMBL30307616 0.99 GLP1R (0.80) GLP1RGCGRGIPRCCKBRNPY1R
SCHEMBL30307619 0.99 GLP1R (0.80) GLP1RGCGRGIPRCCKBRNPY1R
SCHEMBL29364819 0.97 GLP1R (0.81) GLP1RGCGRGIPRCCKBR
SCHEMBL30205160 0.95 GLP1R (0.81) GLP1RGCGRGIPRCCKBR
SCHEMBL30096511 0.95 GLP1R (0.80) GLP1RGCGRGIPRCCKBR
SCHEMBL30460356 0.95 GLP1R (0.80) GLP1RGCGRGIPRCCKBR
SCHEMBL29576071 0.95 GLP1R (0.80) GLP1RGCGRGIPRCCKBR
SCHEMBL30473764 0.95 GLP1R (0.80) GLP1RGCGRGIPRCCKBR
SCHEMBL30645490 0.95 GLP1R (0.80) GLP1RGCGRGIPRCCKBR

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114349828-B GLP-1/glucagon receptor dual agonist and application thereof 江苏师范大学 2023-12-08 — — CN claimed
WO-2022111370-A1 GLP-1/GLUCAGON RECEPTOR DUAL-AGONIST AND APPLICATION THEREOF 江苏师范大学 2022-06-02 — — WO claimed
CN-114349828-A GLP-1/glucagon receptor dual agonist and application thereof 江苏师范大学 2022-04-15 — — CN claimed
CN-114349828-B GLP-1/glucagon receptor dual agonist and application thereof 江苏师范大学 2023-12-08 — — CN disclosed
WO-2022111370-A1 GLP-1/GLUCAGON RECEPTOR DUAL-AGONIST AND APPLICATION THEREOF 江苏师范大学 2022-06-02 — — WO disclosed
CN-114349828-A GLP-1/glucagon receptor dual agonist and application thereof 江苏师范大学 2022-04-15 — — CN disclosed
CN-112409460-B GLP-1/glucagon receptor dual agonist and application thereof 江苏师范大学 2022-02-01 — — CN disclosed
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