SCHEMBL30262163

CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)[C@@H](C)O

nearest known ligand 0.62

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	6/20	0.62

▸	F2	P00734	4/20	0.58

▸	HCRTR1	O43613	1/20	0.56

▸	HCRTR2	O43614	1/20	0.56

▸	CRHR1	P34998	1/20	0.55

▸	CRHR2	Q13324	1/20	0.55

▸	GLP1R	P43220	5/20	0.55

▸	CCKBR	P32239	2/20	0.55

▸	GCGR	P47871	3/20	0.52

▸	NPY2R	P49146	1/20	0.50

▸	NPY4R	P50391	1/20	0.50

▸	NPY5R	Q15761	1/20	0.50

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
SCHEMBL31688311	0.88	CALCR (0.59)	CALCRF2HCRTR1HCRTR2CRHR1
SCHEMBL30432045	0.85	CALCR (0.65)	CALCRF2HCRTR1HCRTR2CRHR1
SCHEMBL30824289	0.85	CALCR (0.63)	CALCRF2HCRTR1HCRTR2CRHR1
SCHEMBL30997464	0.85	F2 (0.60)	CALCRF2CRHR1CRHR2NPY2R
SCHEMBL30607425	0.85	CALCR (0.66)	CALCRF2HCRTR1HCRTR2CRHR1
SCHEMBL30607437	0.85	CALCR (0.67)	CALCRF2HCRTR1HCRTR2CRHR1
SCHEMBL30658207	0.85	CALCR (0.73)	CALCRF2HCRTR1HCRTR2CRHR1
SCHEMBL30512569	0.84	CALCR (0.52)	CALCRHCRTR1HCRTR2CRHR1CRHR2
SCHEMBL30432068	0.84	CALCR (0.66)	CALCRF2CRHR1CRHR2GLP1R
SCHEMBL31683348	0.84	CALCR (0.69)	CALCRF2HCRTR1HCRTR2CRHR1

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