SCHEMBL30013283

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](N)[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)O

nearest known ligand 0.73

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	PTH1R	Q03431	9/20	0.73

▸	GLP1R	P43220	7/20	0.72

▸	CCKBR	P32239	1/20	0.72

▸	RXFP1	Q9HBX9	4/20	0.72

▸	GCGR	P47871	1/20	0.69

▸	GIPR	P48546	1/20	0.69

▸	ECE1	P42892	1/20	0.68

▸	MUS81	Q96NY9	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
SCHEMBL29558511	0.92	GLP1R (0.77)	GLP1RCCKBRECE1MUS81
SCHEMBL31099255	0.92	GLP1R (0.75)	PTH1RGLP1RCCKBR
SCHEMBL29557329	0.92	PTH1R (0.72)	PTH1RGLP1RCCKBRRXFP1GCGR
SCHEMBL31694505	0.92	GLP1R (0.71)	PTH1RGLP1RCCKBRRXFP1GCGR
SCHEMBL29527049	0.92	PTH1R (0.72)	PTH1RGLP1RCCKBRRXFP1GCGR
SCHEMBL31279975	0.91	GLP1R (0.77)	PTH1RGLP1RCCKBRRXFP1GCGR
SCHEMBL30658384	0.91	RXFP1 (0.71)	PTH1RGLP1RCCKBRRXFP1
SCHEMBL30906408	0.91	RXFP1 (0.69)	PTH1RGLP1RCCKBRRXFP1GCGR
SCHEMBL29429591	0.90	GLP1R (0.76)	PTH1RGLP1RCCKBRRXFP1GCGR
SCHEMBL30705442	0.90	PTH1R (0.72)	PTH1RGLP1RCCKBRRXFP1GCGR

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-115232200-A	Long-acting Exendin-4 analogue and application thereof	北京博康健基因科技有限公司	2022-10-25	—	—	CN	claimed