SCHEMBL30656875

SCHEMBL30656875

CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](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)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.81

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 20/20 0.81

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
SCHEMBL31099256 0.96 GLP1R (0.85) GLP1R
SCHEMBL31099262 0.96 GLP1R (0.84) GLP1R
SCHEMBL31099265 0.96 GLP1R (0.84) GLP1R
SCHEMBL30656878 0.95 GLP1R (0.76) GLP1R
SCHEMBL31099264 0.95 GLP1R (0.83) GLP1R
SCHEMBL31099250 0.94 GLP1R (0.84) GLP1R
SCHEMBL31099245 0.94 GLP1R (0.82) GLP1R
SCHEMBL31099246 0.94 GLP1R (0.83) GLP1R
SCHEMBL31087751 0.94 GLP1R (0.91) GLP1R
SCHEMBL29377192 0.93 GLP1R (0.90) 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-112608378-B GLP-1/cholecystokinin-1 receptor dual agonist and application thereof 江苏师范大学 2023-09-08 — — CN claimed
CN-112608378-B GLP-1/cholecystokinin-1 receptor dual agonist and application thereof 江苏师范大学 2023-09-08 — — CN disclosed
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