SCHEMBL30262240

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	NPY1R	P25929	1/20	0.61

▸	NPY2R	P49146	1/20	0.61

▸	NPY4R	P50391	1/20	0.61

▸	NPY5R	Q15761	1/20	0.61

▸	CXCL8	P10145	5/20	0.58

▸	CXCR4	P61073	2/20	0.58

▸	TACR1	P25103	1/20	0.57

▸	GLP1R	P43220	7/20	0.56

▸	KISS1R	Q969F8	2/20	0.56

▸	KEAP1	Q14145	1/20	0.55

▸	CCKBR	P32239	1/20	0.55

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
SCHEMBL30576953	0.89	KEAP1 (0.60)	NPY1RNPY2RNPY4RNPY5RCXCL8
SCHEMBL30508526	0.88	CXCR4 (0.58)	NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL30404538	0.88	KEAP1 (0.65)	NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL29466811	0.88	CXCR4 (0.64)	NPY1RNPY2RNPY4RNPY5RCXCL8
SCHEMBL30600981	0.87	NPY1R (0.60)	NPY1RNPY2RNPY4RNPY5RCXCL8
SCHEMBL29466808	0.87	CXCR4 (0.65)	NPY1RNPY2RNPY4RNPY5RCXCL8
SCHEMBL29466812	0.87	CXCR4 (0.65)	NPY1RNPY2RNPY4RNPY5RCXCL8
SCHEMBL31182720	0.86	NPY2R (0.69)	NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL30495674	0.86	NPY1R (0.60)	NPY1RNPY2RNPY4RNPY5RCXCL8
SCHEMBL31073551	0.86	NPY1R (0.69)	NPY1RNPY2RNPY4RNPY5RGLP1R

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
US-20230040544-A1	COMPOSITIONS AND METHODS FOR RESTORING AND MAINTAINING THE DYSTROPHIN-ASSOCIATED PROTEIN COMPLEX (DAPC)	SAREPTA THERAPEUTICS, INC.	2023-02-09	—	—	US	disclosed