SCHEMBL30262108

CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O

nearest known ligand 0.53

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	F2	P00734	4/20	0.53

▸	CALCR	P30988	11/20	0.53

▸	HCRTR1	O43613	1/20	0.52

▸	HCRTR2	O43614	1/20	0.52

▸	RAMP3	O60896	7/20	0.51

▸	CRHR1	P34998	1/20	0.49

▸	CRHR2	Q13324	1/20	0.49

▸	MC4R	P32245	1/20	0.47

▸	NMBR	P28336	1/20	0.46

▸	GRPR	P30550	1/20	0.46

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
SCHEMBL30862331	0.86	CALCR (0.65)	F2CALCRHCRTR1HCRTR2CRHR1
SCHEMBL30827588	0.83	MC4R (0.47)	F2CALCRHCRTR1HCRTR2MC4R
SCHEMBL31182995	0.83	CALCR (0.63)	F2CALCRHCRTR1HCRTR2RAMP3
SCHEMBL30432828	0.83	CALCR (0.59)	F2CALCRHCRTR1HCRTR2CRHR1
SCHEMBL31182490	0.82	CRHR1 (0.63)	F2CALCRHCRTR1HCRTR2RAMP3
SCHEMBL29903339	0.82	CALCR (0.58)	F2CALCRHCRTR1HCRTR2CRHR1
SCHEMBL31182805	0.82	CALCR (0.67)	F2CALCRHCRTR1HCRTR2CRHR1
SCHEMBL30272450	0.82	F2 (0.46)	F2CALCRMC4R
SCHEMBL30382454	0.82	F2 (0.52)	F2CALCRHCRTR1HCRTR2CRHR1
SCHEMBL31031519	0.81	CALCR (0.55)	F2CALCRHCRTR1HCRTR2CRHR1

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