SCHEMBL30262152

CC[C@H](C)[C@H](NC(=O)[C@@H](N)C(C)C)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@H](C(=O)O)[C@@H](C)O)C(C)C)[C@@H](C)CC)[C@@H](C)O

nearest known ligand 0.58

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	MAPK8	P45983	1/20	0.54

▸	MAPK9	P45984	1/20	0.54

▸	MAPK10	P53779	1/20	0.54

▸	CALCR	P30988	4/20	0.52

▸	CALCRL	Q16602	3/20	0.52

▸	OPRD1	P41143	1/20	0.50

▸	KEAP1	Q14145	1/20	0.50

▸	NPY2R	P49146	5/20	0.50

▸	NPY4R	P50391	5/20	0.50

▸	NPY5R	Q15761	5/20	0.50

▸	NPY1R	P25929	3/20	0.50

▸	NTSR2	O95665	1/20	0.50

▸	NTSR1	P30989	1/20	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
SCHEMBL30607366	0.86	MAPK8 (0.60)	MAPK8MAPK9MAPK10CALCRCALCRL
SCHEMBL30432401	0.86	CALCR (0.61)	MAPK8MAPK9MAPK10CALCRCALCRL
SCHEMBL30432324	0.85	F2 (0.62)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31182783	0.85	CALCR (0.63)	MAPK8MAPK9MAPK10CALCRNPY2R
SCHEMBL31000876	0.84	CALCR (0.61)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31281099	0.84	OPRM1 (0.58)	CALCRLOPRD1KEAP1
SCHEMBL29710497	0.84	NTSR2 (0.57)	MAPK8MAPK9MAPK10CALCRNPY2R
SCHEMBL30320521	0.84	CALCR (0.60)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31465645	0.84	SLC6A2 (0.55)	MAPK8MAPK9MAPK10CALCRLOPRD1
SCHEMBL30605188	0.84	KEAP1 (0.60)	MAPK8MAPK9MAPK10CALCRCALCRL

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