SCHEMBL30262170

CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	F2	P00734	4/20	0.56

▸	NTSR1	P30989	9/20	0.49

▸	NTSR2	O95665	8/20	0.49

▸	CALCR	P30988	4/20	0.49

▸	REN	P00797	1/20	0.48

▸	HCRTR1	O43613	1/20	0.47

▸	HCRTR2	O43614	1/20	0.47

▸	SORT1	Q99523	7/20	0.47

▸	AGTR1	P30556	1/20	0.47

▸	AGTR2	P50052	1/20	0.47

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
SCHEMBL31319372	0.89	F2 (0.52)	F2NTSR1NTSR2RENSORT1
SCHEMBL31319367	0.87	REN (0.53)	F2NTSR1NTSR2RENSORT1
SCHEMBL30168719	0.86	F2 (0.53)	F2NTSR1NTSR2CALCRREN
SCHEMBL31256944	0.86	LNPEP (0.55)	NTSR1NTSR2RENSORT1AGTR1
SCHEMBL30539396	0.85	NTSR1 (0.53)	F2NTSR1NTSR2CALCRREN
SCHEMBL30426901	0.85	REN (0.50)	F2NTSR1NTSR2RENSORT1
SCHEMBL31465300	0.85	F2 (0.52)	F2NTSR1NTSR2RENSORT1
SCHEMBL30382454	0.84	F2 (0.52)	F2CALCRHCRTR1HCRTR2
SCHEMBL30382943	0.83	F2 (0.53)	F2NTSR1NTSR2CALCRHCRTR1
SCHEMBL29674857	0.83	F2 (0.52)	F2CALCRRENAGTR1AGTR2

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