SCHEMBL30081023

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)[C@@H](C)CC

nearest known ligand 0.76

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	6/20	0.61

▸	RAMP3	O60896	3/20	0.61

▸	NPY2R	P49146	7/20	0.61

▸	NPY4R	P50391	7/20	0.61

▸	NPY5R	Q15761	7/20	0.61

▸	NPY1R	P25929	5/20	0.61

▸	NMUR2	Q9GZQ4	3/20	0.60

▸	NMUR1	Q9HB89	3/20	0.60

▸	EP300	Q09472	1/20	0.59

▸	HIF1A	Q16665	1/20	0.59

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
SCHEMBL31182443	0.90	NPY2R (0.67)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL29810043	0.88	NPY2R (0.63)	CALCRRAMP3NPY2RNPY4RNPY5R
SCHEMBL31182959	0.88	MAPK8 (0.67)	CALCRRAMP3NPY2RNPY4RNPY5R
SCHEMBL30495624	0.87	NPY2R (0.64)	CALCRRAMP3NPY2RNPY4RNPY5R
SCHEMBL22263594	0.87	NPY2R (0.67)	CALCRRAMP3NPY2RNPY4RNPY5R
SCHEMBL30435943	0.87	NPY2R (0.65)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31105560	0.87	NPY2R (0.72)	CALCRRAMP3NPY2RNPY4RNPY5R
SCHEMBL29489266	0.87	TFPI (0.64)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31183013	0.87	NPY2R (0.64)	CALCRRAMP3NPY2RNPY4RNPY5R
SCHEMBL30658393	0.87	NPY2R (0.68)	CALCRRAMP3NPY2RNPY4RNPY5R

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-111870685-B	Application of movement-related polypeptide in preparation of medicine for preventing and treating ischemic heart disease	上海市同仁医院	2022-11-29	—	—	CN	disclosed