SCHEMBL30262002

CSCC[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](C)C(=O)O)C(C)C)C(C)C)C(C)C)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	KEAP1	Q14145	1/20	0.46

▸	CALCR	P30988	3/20	0.45

▸	GRPR	P30550	1/20	0.44

▸	CRHR1	P34998	1/20	0.44

▸	CRHR2	Q13324	1/20	0.44

▸	GLP1R	P43220	4/20	0.43

▸	SCTR	P47872	1/20	0.43

▸	BACE1	P56817	2/20	0.42

▸	CCKBR	P32239	2/20	0.41

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
SCHEMBL29697123	0.86	BACE1 (0.47)	KEAP1CALCRGRPRCRHR1CRHR2
SCHEMBL30312252	0.85	GLP1R (0.45)	KEAP1CALCRGLP1RSCTR
SCHEMBL30974497	0.84	CRHR1 (0.52)	KEAP1CALCRCRHR1CRHR2GLP1R
SCHEMBL29805149	0.82	CALCR (0.48)	KEAP1CALCRGRPRCRHR1CRHR2
SCHEMBL31211763	0.82	KEAP1 (0.57)	KEAP1GLP1RSCTR
SCHEMBL31211842	0.82	KEAP1 (0.57)	KEAP1GLP1RSCTR
SCHEMBL30974471	0.82	GLP1R (0.46)	KEAP1CALCRCRHR1CRHR2GLP1R
SCHEMBL30974284	0.82	GLP1R (0.46)	KEAP1CALCRCRHR1CRHR2GLP1R
SCHEMBL30974371	0.82	GLP1R (0.45)	KEAP1CALCRCRHR1CRHR2GLP1R
SCHEMBL30312024	0.82	GLP1R (0.41)	GLP1RSCTRBACE1

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