SCHEMBL30262107

CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 16)

	gene	UniProt	supporting neighbours	confidence
▸	RXFP1	Q9HBX9	2/20	0.54

▸	GRIN2D	O15399	1/20	0.51

▸	GRIN3B	O60391	1/20	0.51

▸	GRIN1	Q05586	1/20	0.51

▸	GRIN2A	Q12879	1/20	0.51

▸	GRIN2B	Q13224	1/20	0.51

▸	GRIN2C	Q14957	1/20	0.51

▸	GRIN3A	Q8TCU5	1/20	0.51

▸	VIPR1	P32241	4/20	0.51

▸	TFPI	P10646	1/20	0.50

▸	VIPR2	P41587	6/20	0.50

▸	PTH1R	Q03431	1/20	0.47

▸	NPY1R	P25929	1/20	0.47

▸	NPY2R	P49146	1/20	0.47

▸	NPY4R	P50391	1/20	0.47

▸	NPY5R	Q15761	1/20	0.47

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
SCHEMBL29405680	0.94	VIPR1 (0.52)	RXFP1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL30607321	0.93	RXFP1 (0.60)	RXFP1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL29416069	0.91	GRIN2D (0.45)	RXFP1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL29805066	0.91	GRIN2D (0.52)	RXFP1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL30863950	0.91	TASP1 (0.49)	RXFP1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL30692433	0.90	GRIN2D (0.47)	RXFP1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL29416092	0.90	GRIN2D (0.47)	RXFP1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL30527924	0.90	GRIN2D (0.47)	RXFP1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL30118952	0.90	RXFP1 (0.49)	RXFP1VIPR1VIPR2
SCHEMBL30272471	0.90	GRIN2D (0.45)	RXFP1GRIN2DGRIN3BGRIN1GRIN2A

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