SCHEMBL30262045

CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(C)C)[C@@H](C)O)C(=O)N[C@H](C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)O)C(C)C)[C@@H](C)O

nearest known ligand 0.68

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.57

▸	CRHR1	P34998	1/20	0.56

▸	CRHR2	Q13324	1/20	0.56

▸	NPY2R	P49146	7/20	0.55

▸	NPY4R	P50391	7/20	0.55

▸	NPY5R	Q15761	7/20	0.55

▸	NPY1R	P25929	5/20	0.55

▸	NTSR2	O95665	2/20	0.55

▸	NTSR1	P30989	2/20	0.55

▸	SORT1	Q99523	2/20	0.55

▸	GLP1R	P43220	1/20	0.54

▸	GCGR	P47871	1/20	0.54

▸	GIPR	P48546	1/20	0.54

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
SCHEMBL30432729	0.90	NPY2R (0.64)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL30607403	0.89	CALCR (0.67)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL30429255	0.86	CALCR (0.66)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL30495603	0.86	NPY2R (0.61)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL29949588	0.86	CALCR (0.68)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL30603858	0.85	CALCRL (0.53)	NTSR2NTSR1SORT1
SCHEMBL30435444	0.85	OPRD1 (0.67)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30824294	0.85	NPY2R (0.66)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL29811064	0.85	CALCR (0.66)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL11598563	0.85	CALCR (0.71)	CALCRCRHR1CRHR2NPY2RNPY4R

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