SCHEMBL30262103

CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)CCCNC(=N)N)[C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	F2	P00734	4/20	0.60

▸	NPY2R	P49146	7/20	0.57

▸	NPY4R	P50391	7/20	0.57

▸	NPY5R	Q15761	7/20	0.57

▸	NPY1R	P25929	5/20	0.57

▸	CALCR	P30988	5/20	0.56

▸	EP300	Q09472	1/20	0.55

▸	HIF1A	Q16665	1/20	0.55

▸	MAPK8	P45983	1/20	0.55

▸	MAPK9	P45984	1/20	0.55

▸	MAPK10	P53779	1/20	0.55

▸	RAMP3	O60896	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
SCHEMBL30495819	0.91	NPY2R (0.59)	F2NPY2RNPY4RNPY5RNPY1R
SCHEMBL30512749	0.91	NPY2R (0.55)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30511758	0.91	CALCR (0.58)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30495627	0.91	NPY2R (0.64)	F2NPY2RNPY4RNPY5RNPY1R
SCHEMBL29808351	0.91	F2 (0.54)	F2NPY2RNPY4RNPY5RNPY1R
SCHEMBL29903311	0.90	CALCR (0.60)	F2NPY2RNPY4RNPY5RNPY1R
SCHEMBL31182889	0.90	MAPK8 (0.68)	F2NPY2RNPY4RNPY5RNPY1R
SCHEMBL29808558	0.90	F2 (0.54)	F2NPY2RNPY4RNPY5RNPY1R
SCHEMBL30262166	0.90	F2 (0.57)	F2NPY2RNPY4RNPY5RNPY1R
SCHEMBL30570970	0.89	APLNR (0.55)	CALCRRAMP3

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