SCHEMBL30262181

CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@@H](N)[C@@H](C)O)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)O)[C@@H](C)O)C(C)C

nearest known ligand 0.60

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	CXCR4	P61073	6/20	0.60

▸	IL23R	Q5VWK5	1/20	0.60

▸	NPY1R	P25929	1/20	0.57

▸	NPY2R	P49146	1/20	0.57

▸	NPY4R	P50391	1/20	0.57

▸	NPY5R	Q15761	1/20	0.57

▸	GLP1R	P43220	9/20	0.55

▸	GIPR	P48546	9/20	0.55

▸	C5AR1	P21730	1/20	0.54

▸	CALCA	P06881	1/20	0.54

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
SCHEMBL31590312	0.89	CXCR4 (0.64)	CXCR4IL23RNPY1RNPY2RNPY4R
SCHEMBL20493787	0.88	CXCR4 (0.64)	CXCR4IL23RNPY1RNPY2RNPY4R
SCHEMBL18642508	0.88	CXCR4 (0.64)	CXCR4IL23RNPY1RNPY2RNPY4R
SCHEMBL30262102	0.88	CXCR4 (0.64)	CXCR4IL23RNPY1RNPY2RNPY4R
SCHEMBL30567700	0.86	CALCR (0.66)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30607398	0.86	GLP1R (0.64)	IL23RNPY1RNPY2RNPY4RNPY5R
SCHEMBL30607355	0.85	CALCR (0.65)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL29855927	0.85	CXCR4 (0.66)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL31255934	0.85	CXCR4 (0.66)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL31020887	0.85	CXCR4 (0.68)	CXCR4IL23RNPY1RNPY2RNPY4R

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