SCHEMBL30435238

C[C@@H](O)[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)O)[C@@H](C)O

nearest known ligand 0.51

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	NPY2R	P49146	8/20	0.45

▸	NPY4R	P50391	8/20	0.45

▸	NPY5R	Q15761	8/20	0.45

▸	NPY1R	P25929	6/20	0.45

▸	OPRM1	P35372	1/20	0.45

▸	NMUR2	Q9GZQ4	1/20	0.42

▸	KDM1A	O60341	1/20	0.42

▸	GRB2	P62993	1/20	0.42

▸	CALCRL	Q16602	1/20	0.42

▸	NTSR1	P30989	1/20	0.41

▸	SLC6A2	P23975	1/20	0.41

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
SCHEMBL29679816	0.92	OPRM1 (0.49)	NPY2RNPY4RNPY5RNPY1ROPRM1
SCHEMBL30118985	0.89	GRB2 (0.48)	NPY2RNPY4RNPY5RNPY1ROPRM1
SCHEMBL30512794	0.89	NTSR1 (0.49)	NPY2RNPY4RNPY5RNPY1ROPRM1
SCHEMBL29466792	0.89	NPY1R (0.49)	NPY2RNPY4RNPY5RNPY1RNTSR1
SCHEMBL31575687	0.87	NTSR1 (0.48)	NPY2RNPY4RNPY5RNPY1RNTSR1
SCHEMBL29906299	0.86	CALCRL (0.47)	NPY2RNPY4RNPY5RNPY1ROPRM1
SCHEMBL31031595	0.85	NPY2R (0.50)	NPY2RNPY4RNPY5RNPY1ROPRM1
Acetic Acid SCHEMBL30408591	0.85	CALCRL (0.46)	NPY2RNPY4RNPY5RNPY1ROPRM1
SCHEMBL30968999	0.84	KEAP1 (0.49)	NPY2RNPY4RNPY5RNPY1ROPRM1
SCHEMBL30242241	0.84	SLC6A2 (0.47)	OPRM1NMUR2CALCRLNTSR1SLC6A2

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