SCHEMBL30262073

CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 9)

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

▸	APLNR	P35414	2/20	0.60

▸	F2	P00734	4/20	0.57

▸	KEAP1	Q14145	1/20	0.56

▸	GLP1R	P43220	5/20	0.55

▸	GCGR	P47871	5/20	0.55

▸	GIPR	P48546	5/20	0.55

▸	CRHR1	P34998	1/20	0.55

▸	CRHR2	Q13324	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
SCHEMBL31182945	0.89	CALCR (0.68)	CALCRAPLNRF2KEAP1GLP1R
SCHEMBL30428850	0.89	CALCR (0.67)	CALCRAPLNRKEAP1GLP1RGCGR
SCHEMBL31678868	0.88	CALCR (0.64)	CALCRGLP1RGCGRGIPRCRHR1
SCHEMBL31168252	0.87	CALCR (0.73)	CALCRAPLNRF2KEAP1GLP1R
SCHEMBL29895442	0.86	CALCR (0.73)	CALCRAPLNRGLP1RGCGRGIPR
SCHEMBL6437853	0.86	CALCR (0.73)	CALCRAPLNRGLP1RGCGRGIPR
SCHEMBL31612226	0.86	F2 (0.63)	CALCRAPLNRF2KEAP1GLP1R
SCHEMBL30932075	0.86	CALCR (0.72)	CALCRF2GLP1R
SCHEMBL30495780	0.86	CALCR (0.73)	CALCRAPLNRF2KEAP1GLP1R
SCHEMBL30495617	0.85	CALCR (0.68)	CALCRAPLNRF2KEAP1GLP1R

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