SCHEMBL30262183

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

nearest known ligand 0.54

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	NPY2R	P49146	8/20	0.54

▸	NPY4R	P50391	8/20	0.54

▸	NPY5R	Q15761	8/20	0.54

▸	NPY1R	P25929	6/20	0.54

▸	CTSD	P07339	1/20	0.51

▸	BACE1	P56817	1/20	0.51

▸	EP300	Q09472	1/20	0.50

▸	HIF1A	Q16665	1/20	0.50

▸	CALCR	P30988	9/20	0.50

▸	RAMP3	O60896	6/20	0.50

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
SCHEMBL29530977	0.90	CALCR (0.52)	NPY2RNPY4RNPY5RNPY1RCTSD
SCHEMBL9058995	0.86	RAMP3 (0.56)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL9058997	0.86	RAMP3 (0.56)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30997383	0.86	RAMP3 (0.50)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL29609347	0.86	NPY2R (0.56)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30432010	0.86	CAPN1 (0.50)	NPY2RNPY4RNPY5RNPY1REP300
SCHEMBL30930162	0.86	RAMP3 (0.50)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30930165	0.86	NPY2R (0.54)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30712979	0.86	CALCR (0.53)	NPY2RNPY4RNPY5RNPY1REP300
SCHEMBL30930139	0.85	CALCR (0.56)	NPY2RNPY4RNPY5RNPY1RCALCR

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