SCHEMBL30262138

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(C)C)C(C)C)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(N)=O)C(=O)O)C(C)C

nearest known ligand 0.61

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	TLR2	O60603	4/20	0.61

▸	RXFP1	Q9HBX9	4/20	0.57

▸	PTH1R	Q03431	4/20	0.56

▸	GLP1R	P43220	4/20	0.55

▸	GCGR	P47871	1/20	0.55

▸	GIPR	P48546	1/20	0.55

▸	CCKBR	P32239	1/20	0.54

▸	PCSK9	Q8NBP7	2/20	0.53

▸	KEAP1	Q14145	1/20	0.53

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
SCHEMBL30262080	0.94	TLR2 (0.59)	TLR2RXFP1PTH1RGLP1RGCGR
SCHEMBL30607362	0.90	PTH1R (0.67)	RXFP1PTH1RGLP1RGCGRGIPR
SCHEMBL30262030	0.89	MAGI3 (0.59)	TLR2RXFP1GLP1RPCSK9
SCHEMBL29360549	0.89	GLP1R (0.66)	TLR2RXFP1PTH1RGLP1RGCGR
SCHEMBL30262171	0.88	MAGI3 (0.60)	TLR2GLP1RPCSK9
SCHEMBL31243562	0.88	GLP1R (0.58)	GLP1R
SCHEMBL29436295	0.88	KISS1R (0.56)	TLR2GLP1RGCGRGIPR
SCHEMBL30721593	0.87	MAGI3 (0.58)	TLR2RXFP1PTH1RKEAP1
SCHEMBL30093076	0.87	EDNRA (0.58)	TLR2PCSK9
SCHEMBL31182833	0.87	PTH1R (0.70)	RXFP1PTH1RGLP1RGCGRGIPR

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