SCHEMBL30721629

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)CNC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=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](CC(C)C)NC(=O)[C@@H](N)CCCNC(=N)N)[C@@H](C)CC)[C@@H](C)O)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C(C)C

nearest known ligand 0.76

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	GLP1R	P43220	12/20	0.70

▸	CCKBR	P32239	2/20	0.70

▸	CALCR	P30988	4/20	0.70

▸	NPY1R	P25929	1/20	0.69

▸	NPY2R	P49146	1/20	0.69

▸	NPY4R	P50391	1/20	0.69

▸	NPY5R	Q15761	1/20	0.69

▸	GCGR	P47871	4/20	0.69

▸	KEAP1	Q14145	1/20	0.69

▸	C5AR1	P21730	1/20	0.68

▸	GIPR	P48546	1/20	0.68

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
SCHEMBL30721635	0.99	GLP1R (0.70)	GLP1RCCKBRCALCRNPY1RNPY2R
SCHEMBL30721620	0.99	NPY1R (0.72)	GLP1RCCKBRCALCRNPY1RNPY2R
SCHEMBL30721578	0.98	NPY1R (0.71)	GLP1RCCKBRCALCRNPY1RNPY2R
SCHEMBL30721577	0.98	NPY1R (0.71)	GLP1RCCKBRCALCRNPY1RNPY2R
SCHEMBL30721558	0.98	NPY1R (0.72)	GLP1RCCKBRCALCRNPY1RNPY2R
SCHEMBL30721563	0.97	NPY1R (0.73)	GLP1RCCKBRCALCRNPY1RNPY2R
SCHEMBL30721596	0.97	CALCR (0.74)	GLP1RCCKBRCALCRNPY1RNPY2R
SCHEMBL30721569	0.97	CALCR (0.74)	GLP1RCCKBRCALCRNPY1RNPY2R
SCHEMBL30721573	0.97	NPY1R (0.72)	GLP1RCCKBRCALCRNPY1RNPY2R
SCHEMBL30721639	0.97	NPY1R (0.70)	GLP1RCCKBRCALCRNPY1RNPY2R

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-117402256-A	Protein dimers consisting of GLP-1 and EGF (A) analogues	乐普（北京）医疗器械股份有限公司	2024-01-16	—	—	CN	disclosed