SCHEMBL29871041

CC(C)[C@H](NC(=O)CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(C)C)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	GLP1R	P43220	16/20	0.59

▸	SCTR	P47872	1/20	0.59

▸	GCGR	P47871	1/20	0.56

▸	C5AR1	P21730	1/20	0.54

▸	TFPI	P10646	1/20	0.54

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
SCHEMBL30495762	0.90	GLP1R (0.69)	GLP1RSCTRGCGRTFPI
SCHEMBL29903355	0.90	GLP1R (0.65)	GLP1RSCTRGCGRTFPI
SCHEMBL31182709	0.90	GLP1R (0.65)	GLP1RSCTRGCGRTFPI
SCHEMBL30432587	0.90	GLP1R (0.66)	GLP1RSCTR
SCHEMBL30168716	0.90	GLP1R (0.60)	GLP1RSCTR
SCHEMBL30495584	0.89	GLP1R (0.60)	GLP1RSCTRGCGR
SCHEMBL30307617	0.89	GLP1R (0.64)	GLP1RSCTRGCGRTFPI
SCHEMBL29716050	0.88	GLP1R (0.62)	GLP1RSCTRGCGRC5AR1TFPI
SCHEMBL30974518	0.88	TFPI (0.62)	GLP1RSCTRGCGRTFPI
SCHEMBL31139979	0.88	GLP1R (0.66)	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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
CN-110013542-B	Medicine and polypeptide analogue for preventing/treating synucleinopathy	南通大学	2022-09-20	—	—	CN	claimed
CN-110013542-B	Medicine and polypeptide analogue for preventing/treating synucleinopathy	南通大学	2022-09-20	—	—	CN	disclosed