SCHEMBL30262106

CSCC[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)O)C(C)C

nearest known ligand 0.62

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.61

▸	APLNR	P35414	2/20	0.57

▸	CXCR4	P61073	2/20	0.55

▸	GLP1R	P43220	3/20	0.54

▸	GCGR	P47871	3/20	0.54

▸	C5AR1	P21730	1/20	0.54

▸	CTSL	P07711	3/20	0.53

▸	CTSS	P25774	3/20	0.53

▸	CTSK	P43235	3/20	0.53

▸	CTSH	P09668	1/20	0.53

▸	ITGB3	P05106	1/20	0.52

▸	ITGAV	P06756	1/20	0.52

▸	CRHR1	P34998	1/20	0.52

▸	CRHR2	Q13324	1/20	0.52

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
SCHEMBL30658339	0.88	CALCR (0.73)	CALCRAPLNRCXCR4GLP1RGCGR
SCHEMBL30658275	0.88	CALCR (0.71)	CALCRGLP1RGCGRCRHR1CRHR2
SCHEMBL31182924	0.87	GLP1R (0.61)	CALCRAPLNRGLP1RGCGRITGB3
SCHEMBL30570970	0.87	APLNR (0.55)	CALCRAPLNRCXCR4C5AR1CTSL
SCHEMBL30495742	0.87	CALCR (0.69)	CALCRAPLNRGLP1RGCGRCRHR1
SCHEMBL30567004	0.87	CALCR (0.61)	CALCRAPLNRCXCR4GLP1RGCGR
SCHEMBL30358145	0.86	CALCR (0.68)	CALCRAPLNRGLP1RGCGRCRHR1
SCHEMBL30495821	0.86	APLNR (0.61)	CALCRAPLNRGLP1RGCGRCTSL
SCHEMBL31182769	0.86	CALCR (0.65)	CALCRAPLNRGLP1RGCGRCRHR1
SCHEMBL31182811	0.86	CALCR (0.73)	CALCRAPLNRGLP1RGCGRC5AR1

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