SCHEMBL30262202

CC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)CS)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	CXCR4	P61073	1/20	0.59

▸	NPY2R	P49146	7/20	0.58

▸	NPY4R	P50391	7/20	0.58

▸	NPY5R	Q15761	7/20	0.58

▸	NPY1R	P25929	5/20	0.58

▸	EPHA2	P29317	2/20	0.58

▸	CALCR	P30988	5/20	0.57

▸	TFPI	P10646	1/20	0.57

▸	MAPK8	P45983	1/20	0.56

▸	MAPK9	P45984	1/20	0.56

▸	MAPK10	P53779	1/20	0.56

▸	RAMP3	O60896	3/20	0.56

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
SCHEMBL31730324	0.95	CXCR4 (0.60)	CXCR4NPY2RNPY4RNPY5RNPY1R
SCHEMBL29695550	0.91	CXCR4 (0.60)	CXCR4NPY2RNPY4RNPY5RNPY1R
SCHEMBL29827447	0.91	KEAP1 (0.62)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30804666	0.90	NPY2R (0.64)	CXCR4NPY2RNPY4RNPY5RNPY1R
SCHEMBL30607391	0.90	CXCR4 (0.64)	CXCR4NPY2RNPY4RNPY5RNPY1R
SCHEMBL31182992	0.90	NPY2R (0.66)	CXCR4NPY2RNPY4RNPY5RNPY1R
SCHEMBL31461960	0.90	MAPK8 (0.67)	CXCR4NPY2RNPY4RNPY5RNPY1R
SCHEMBL30335483	0.90	NPY2R (0.64)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL31000920	0.89	CXCR4 (0.65)	CXCR4NPY2RNPY4RNPY5RNPY1R
SCHEMBL30423109	0.89	APLNR (0.60)	CXCR4NPY2RNPY4RNPY5RNPY1R

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