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SCHEMBL30408253

SCHEMBL30408253

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](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(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](C)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 5/20 0.62
▸ OPRD1 P41143 5/20 0.62
▸ OPRK1 P41145 5/20 0.62
▸ GLP1R P43220 14/20 0.61

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
SCHEMBL30407652 0.98 OPRM1 (0.64) OPRM1OPRD1OPRK1GLP1R
SCHEMBL30406777 0.98 OPRM1 (0.63) OPRM1OPRD1OPRK1GLP1R
SCHEMBL31312694 0.95 OPRM1 (0.65) OPRM1OPRD1OPRK1GLP1R
SCHEMBL31467321 0.95 OPRM1 (0.62) OPRM1OPRD1OPRK1GLP1R
SCHEMBL31062669 0.92 GLP1R (0.65) OPRM1OPRD1OPRK1GLP1R
SCHEMBL29722072 0.92 GLP1R (0.65) OPRM1OPRD1OPRK1GLP1R
SCHEMBL30080556 0.92 OPRM1 (0.61) OPRM1OPRD1OPRK1GLP1R
SCHEMBL30852826 0.90 GLP1R (0.64) OPRM1OPRD1OPRK1GLP1R
SCHEMBL30852846 0.90 GLP1R (0.64) OPRM1OPRD1OPRK1GLP1R
SCHEMBL31246307 0.90 GLP1R (0.67) GLP1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116120425-A GLP-1/GIP receptor dual agonist and application thereof 南京赛诺生物技术有限公司 2023-05-16 — — CN claimed
CN-116120425-A GLP-1/GIP receptor dual agonist and application thereof 南京赛诺生物技术有限公司 2023-05-16 — — CN disclosed
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