SCHEMBL30307617

SCHEMBL30307617

CC(C)[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(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 17/20 0.64
▸ SCTR P47872 1/20 0.64
▸ GCGR P47871 1/20 0.60
▸ VIPR1 P32241 1/20 0.58
▸ TFPI P10646 1/20 0.58

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
SCHEMBL30307618 0.98 GLP1R (0.67) GLP1RSCTRGCGRVIPR1TFPI
SCHEMBL29364498 0.96 GLP1R (0.58) GLP1RSCTRGCGR
SCHEMBL29367867 0.96 GLP1R (0.58) GLP1RSCTRGCGR
SCHEMBL29367449 0.96 GLP1R (0.58) GLP1RSCTRGCGR
SCHEMBL29367002 0.96 GLP1R (0.58) GLP1RSCTRGCGR
SCHEMBL30620994 0.94 GLP1R (0.68) GLP1RSCTRGCGR
SCHEMBL30108347 0.93 GLP1R (0.72) GLP1RSCTRGCGR
SCHEMBL29716050 0.93 GLP1R (0.62) GLP1RSCTRGCGRTFPI
SCHEMBL30435635 0.92 GLP1R (0.62) GLP1RSCTRGCGRVIPR1
SCHEMBL31571739 0.92 GLP1R (0.70) GLP1RSCTRGCGR

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
CN-115819551-A GLP-1/glucagon/gastrin receptor triple agonist with site-specific modification and application thereof 南京赛诺生物制药有限公司 2023-03-21 — — CN disclosed
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