SCHEMBL30262189

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

nearest known ligand 0.60

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	NPY2R	P49146	7/20	0.60

▸	NPY4R	P50391	7/20	0.60

▸	NPY5R	Q15761	7/20	0.60

▸	NPY1R	P25929	5/20	0.60

▸	MAPK8	P45983	1/20	0.59

▸	MAPK9	P45984	1/20	0.59

▸	MAPK10	P53779	1/20	0.59

▸	RAMP3	O60896	3/20	0.58

▸	CALCR	P30988	3/20	0.58

▸	TFPI	P10646	3/20	0.57

▸	KDM1A	O60341	2/20	0.57

▸	EPHA2	P29317	2/20	0.57

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
SCHEMBL30262172	0.92	EPHA2 (0.59)	NPY2RNPY4RNPY5RNPY1RMAPK8
SCHEMBL30607421	0.92	NPY2R (0.60)	NPY2RNPY4RNPY5RNPY1RRAMP3
SCHEMBL29554773	0.92	MAPK8 (0.64)	NPY2RNPY4RNPY5RNPY1RMAPK8
SCHEMBL30168731	0.91	MAPK8 (0.64)	NPY2RNPY4RNPY5RNPY1RMAPK8
SCHEMBL29617368	0.89	MAPK8 (0.56)	NPY2RNPY4RNPY5RNPY1RMAPK8
SCHEMBL30924747	0.88	MAPK8 (0.61)	NPY2RNPY4RNPY5RNPY1RMAPK8
SCHEMBL31182656	0.87	MAPK8 (0.59)	NPY2RNPY4RNPY5RNPY1RMAPK8
SCHEMBL30844264	0.87	MAPK8 (0.60)	NPY2RNPY4RNPY5RNPY1RMAPK8
SCHEMBL31034480	0.86	RAMP3 (0.63)	NPY2RNPY4RNPY5RNPY1RRAMP3
SCHEMBL30804661	0.86	NPY2R (0.61)	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