SCHEMBL30261987

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

nearest known ligand 0.58

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	CRHR1	P34998	1/20	0.58

▸	CRHR2	Q13324	1/20	0.58

▸	CALCR	P30988	4/20	0.57

▸	RXFP1	Q9HBX9	1/20	0.53

▸	PTH1R	Q03431	3/20	0.51

▸	GLP1R	P43220	4/20	0.51

▸	HCRTR1	O43613	1/20	0.50

▸	HCRTR2	O43614	1/20	0.50

▸	F2	P00734	1/20	0.49

▸	BACE1	P56817	1/20	0.49

▸	KEAP1	Q14145	1/20	0.49

▸	NPY1R	P25929	1/20	0.49

▸	NPY2R	P49146	1/20	0.49

▸	NPY4R	P50391	1/20	0.49

▸	NPY5R	Q15761	1/20	0.49

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
SCHEMBL30436221	0.90	CALCR (0.67)	CRHR1CRHR2CALCRPTH1RGLP1R
SCHEMBL31182682	0.89	PTH1R (0.60)	CRHR1CRHR2CALCRRXFP1PTH1R
SCHEMBL30136490	0.89	PTH1R (0.59)	CRHR1CRHR2CALCRRXFP1PTH1R
Ishkdmqlgr SCHEMBL29843949	0.89	F2 (0.56)	CRHR1CRHR2CALCRGLP1RHCRTR1
SCHEMBL31303964	0.88	PTH1R (0.59)	CRHR1CRHR2CALCRRXFP1PTH1R
SCHEMBL29407403	0.88	PTH1R (0.59)	CRHR1CRHR2CALCRRXFP1PTH1R
SCHEMBL31574194	0.88	CALCR (0.55)	CRHR1CRHR2CALCRGLP1RHCRTR1
SCHEMBL29949418	0.88	CALCR (0.64)	CRHR1CRHR2CALCRRXFP1PTH1R
SCHEMBL30262006	0.87	GLP1R (0.52)	CRHR1CRHR2CALCRRXFP1GLP1R
SCHEMBL29777753	0.87	CALCR (0.51)	CRHR1CRHR2CALCRRXFP1PTH1R

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