SCHEMBL30262214

CSCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CCCCN)[C@@H](C)O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)O)[C@@H](C)O

nearest known ligand 0.59

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	CRHR1	P34998	1/20	0.59

▸	CRHR2	Q13324	1/20	0.59

▸	CALCR	P30988	4/20	0.58

▸	IL23R	Q5VWK5	2/20	0.56

▸	GLP1R	P43220	10/20	0.54

▸	SCTR	P47872	1/20	0.54

▸	KEAP1	Q14145	1/20	0.51

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
SCHEMBL30431997	0.92	CALCR (0.66)	CRHR1CRHR2CALCRIL23RGLP1R
SCHEMBL30658321	0.90	CRHR1 (0.70)	CRHR1CRHR2CALCRGLP1R
SCHEMBL30658252	0.90	CALCR (0.71)	CRHR1CRHR2CALCRGLP1RSCTR
SCHEMBL30567761	0.90	GLP1R (0.60)	CRHR1CRHR2CALCRIL23RGLP1R
SCHEMBL29994110	0.90	CALCR (0.58)	CRHR1CRHR2CALCRGLP1RSCTR
SCHEMBL29726691	0.89	CALCR (0.60)	CRHR1CRHR2CALCRGLP1RSCTR
SCHEMBL30778184	0.89	CALCR (0.60)	CRHR1CRHR2CALCRGLP1RSCTR
SCHEMBL29880436	0.89	CALCR (0.60)	CRHR1CRHR2CALCRGLP1RSCTR
SCHEMBL29992932	0.89	F2 (0.55)	CRHR1CRHR2CALCRGLP1RSCTR
SCHEMBL29637838	0.89	GLP1R (0.58)	CRHR1CRHR2CALCRGLP1RSCTR

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