SCHEMBL30262238

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

nearest known ligand 0.60

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	IL23R	Q5VWK5	11/20	0.60

▸	KEAP1	Q14145	1/20	0.58

▸	GLP1R	P43220	3/20	0.57

▸	ECE1	P42892	1/20	0.57

▸	MUS81	Q96NY9	1/20	0.57

▸	PTH1R	Q03431	2/20	0.57

▸	RXFP1	Q9HBX9	1/20	0.56

▸	GHSR	Q92847	2/20	0.55

▸	NPY2R	P49146	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
SCHEMBL31243561	0.90	KEAP1 (0.67)	KEAP1GLP1RECE1MUS81PTH1R
SCHEMBL30262008	0.90	GLP1R (0.58)	IL23RKEAP1GLP1RECE1MUS81
SCHEMBL30607281	0.90	PTH1R (0.65)	IL23RKEAP1GLP1RECE1MUS81
SCHEMBL29770921	0.89	VIPR2 (0.65)	KEAP1GLP1RECE1MUS81PTH1R
SCHEMBL30261961	0.89	PTH1R (0.67)	GLP1RECE1MUS81PTH1RRXFP1
SCHEMBL31182873	0.89	GLP1R (0.68)	GLP1RECE1MUS81
SCHEMBL29649223	0.89	GLP1R (0.64)	IL23RGLP1RECE1MUS81RXFP1
SCHEMBL31065739	0.88	GLP1R (0.61)	KEAP1GLP1RECE1MUS81PTH1R
SCHEMBL30498854	0.88	GLP1R (0.64)	IL23RKEAP1GLP1RECE1MUS81
SCHEMBL31009219	0.87	GLP1R (0.61)	KEAP1GLP1RECE1MUS81PTH1R

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