SCHEMBL29786933

CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)N)C(C)C)[C@@H](C)O)C(C)C)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	RAMP3	O60896	9/20	0.57

▸	CALCR	P30988	9/20	0.57

▸	NPY2R	P49146	7/20	0.55

▸	NPY4R	P50391	7/20	0.55

▸	NPY5R	Q15761	7/20	0.55

▸	NPY1R	P25929	5/20	0.55

▸	MAPK8	P45983	1/20	0.54

▸	MAPK9	P45984	1/20	0.54

▸	MAPK10	P53779	1/20	0.54

▸	KDM1A	O60341	1/20	0.51

▸	EPHA2	P29317	1/20	0.51

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
SCHEMBL29460681	0.90	MAPK8 (0.55)	RAMP3CALCRNPY2RNPY4RNPY5R
SCHEMBL31043443	0.90	NPY2R (0.59)	RAMP3CALCRNPY2RNPY4RNPY5R
SCHEMBL30974349	0.89	RAMP3 (0.69)	RAMP3CALCRNPY2RNPY4RNPY5R
SCHEMBL30974597	0.88	RAMP3 (0.68)	RAMP3CALCRNPY2RNPY4RNPY5R
SCHEMBL31031585	0.88	RAMP3 (0.63)	RAMP3CALCRNPY2RNPY4RNPY5R
SCHEMBL30974406	0.87	RAMP3 (0.55)	RAMP3CALCRNPY2RNPY4RNPY5R
SCHEMBL31182511	0.87	RAMP3 (0.62)	RAMP3CALCRNPY2RNPY4RNPY5R
SCHEMBL30358164	0.87	NPY2R (0.65)	RAMP3CALCRNPY2RNPY4RNPY5R
SCHEMBL31182781	0.86	NPY2R (0.60)	RAMP3CALCRNPY2RNPY4RNPY5R
SCHEMBL31182656	0.86	MAPK8 (0.59)	RAMP3CALCRNPY2RNPY4RNPY5R

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-114891085-B	IgE epitope peptide of whey allergen beta-lactoglobulin	澳优乳业（中国）有限公司	2024-03-26	—	—	CN	disclosed
CN-114891085-A	IgE epitope peptide of whey allergen beta-lactoglobulin	澳优乳业（中国）有限公司	2022-08-12	—	—	CN	disclosed