SCHEMBL31139995

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](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](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)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)CNC(=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)N[C@@H](CS)C(=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(N)=O

nearest known ligand 0.82

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	GLP1R	P43220	16/20	0.76

▸	GCGR	P47871	9/20	0.76

▸	GIPR	P48546	6/20	0.76

▸	CCKBR	P32239	4/20	0.75

▸	CALCR	P30988	3/20	0.73

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.

Compound	similarity	top predicted	shared targets
SCHEMBL31139954	0.98	GLP1R (0.79)	GLP1RGCGRGIPRCCKBRCALCR
SCHEMBL31139990	0.97	GLP1R (0.77)	GLP1RGCGRGIPRCCKBRCALCR
SCHEMBL29429437	0.97	GLP1R (0.81)	GLP1RGCGRGIPRCCKBR
SCHEMBL31072728	0.97	GLP1R (0.81)	GLP1RGCGRGIPRCCKBR
Exenatide SCHEMBL29710890	0.97	GLP1R (0.81)	GLP1RGCGRGIPRCCKBR
Exenatide SCHEMBL29827241	0.97	GLP1R (0.81)	GLP1RGCGRGIPRCCKBR
Exenatide SCHEMBL14634818	0.97	GLP1R (0.81)	GLP1RGCGRGIPRCCKBR
Exenatide SCHEMBL20509814	0.97	GLP1R (0.81)	GLP1RGCGRGIPRCCKBR
Exenatide SCHEMBL28285812	0.97	GLP1R (0.82)	GLP1RGCGRGIPRCCKBR
Exenatide SCHEMBL28323280	0.97	GLP1R (0.81)	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 1 patent. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
CN-118512602-A	Compound pharmaceutical composition and application thereof	派格生物医药(苏州)股份有限公司	2024-08-20	—	—	CN	disclosed