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Sugi Predict / Compounds / SCHEMBL30852826

SCHEMBL30852826

SCHEMBL30852826

CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)C(C)(C)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@](C)(CC)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 17/20 0.64
▸ GCGR P47871 1/20 0.64
▸ GIPR P48546 1/20 0.64
▸ OPRM1 P35372 3/20 0.62
▸ OPRD1 P41143 3/20 0.62
▸ OPRK1 P41145 3/20 0.62

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
SCHEMBL30852846 1.00 GLP1R (0.64) GLP1RGCGRGIPROPRM1OPRD1
SCHEMBL31062669 0.97 GLP1R (0.65) GLP1RGCGRGIPROPRM1OPRD1
SCHEMBL29722072 0.97 GLP1R (0.65) GLP1RGCGRGIPROPRM1OPRD1
SCHEMBL31312694 0.94 OPRM1 (0.65) GLP1RGCGRGIPROPRM1OPRD1
SCHEMBL30080556 0.93 OPRM1 (0.61) GLP1RGCGRGIPROPRM1OPRD1
SCHEMBL31467321 0.92 OPRM1 (0.62) GLP1RGCGRGIPROPRM1OPRD1
SCHEMBL30071477 0.92 GLP1R (0.70) GLP1R
SCHEMBL30407652 0.91 OPRM1 (0.64) GLP1ROPRM1OPRD1OPRK1
SCHEMBL30406777 0.91 OPRM1 (0.63) GLP1RGCGRGIPROPRM1OPRD1
SCHEMBL30408253 0.90 OPRM1 (0.62) GLP1ROPRM1OPRD1OPRK1

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-2024098718-A1 NOVEL LONG-ACTING POLYPEPTIDE COMPOUND, COMPOSITION, AND USE THEREOF 内蒙古博睿精创科技有限公司 2024-05-16 — — WO disclosed
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