SCHEMBL30435720

CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)[C@@H](C)CC)C(C)C)C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(C)C

nearest known ligand 0.64

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	PTH1R	Q03431	9/20	0.64

▸	GLP1R	P43220	8/20	0.61

▸	TLR2	O60603	3/20	0.57

▸	ECE1	P42892	1/20	0.57

▸	MUS81	Q96NY9	1/20	0.57

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
SCHEMBL30262219	0.91	GLP1R (0.61)	PTH1RGLP1RECE1MUS81
SCHEMBL29691736	0.91	EDNRA (0.60)	PTH1RGLP1R
SCHEMBL30804647	0.91	GLP1R (0.66)	PTH1RGLP1RECE1MUS81
SCHEMBL30432684	0.90	TLR2 (0.60)	PTH1RGLP1RTLR2ECE1MUS81
SCHEMBL29694497	0.90	GLP1R (0.65)	GLP1RECE1MUS81
SCHEMBL30506383	0.90	GLP1R (0.69)	GLP1RECE1MUS81
SCHEMBL27913477	0.90	EDNRA (0.59)	PTH1R
SCHEMBL27913484	0.90	EDNRA (0.59)	PTH1R
SCHEMBL29360549	0.90	GLP1R (0.66)	PTH1RGLP1RTLR2ECE1MUS81
SCHEMBL30874388	0.89	GLP1R (0.60)	PTH1RGLP1RECE1MUS81

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-114395545-B	Sialidase for resisting helicobacter pylori colonization in stomach	成都欧林生物科技股份有限公司	2023-05-12	—	—	CN	disclosed