SCHEMBL30262086

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.73

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	NPY2R	P49146	8/20	0.69

▸	NPY4R	P50391	8/20	0.69

▸	NPY5R	Q15761	8/20	0.69

▸	NPY1R	P25929	6/20	0.69

▸	NMUR2	Q9GZQ4	4/20	0.65

▸	NMUR1	Q9HB89	4/20	0.65

▸	TFPI	P10646	4/20	0.63

▸	RAMP3	O60896	1/20	0.63

▸	CALCR	P30988	1/20	0.63

▸	MAPK8	P45983	1/20	0.61

▸	MAPK9	P45984	1/20	0.61

▸	MAPK10	P53779	1/20	0.61

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
SCHEMBL30262046	0.96	NPY2R (0.69)	NPY2RNPY4RNPY5RNPY1RNMUR2
SCHEMBL31182972	0.93	NPY2R (0.70)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30433571	0.90	NPY2R (0.69)	NPY2RNPY4RNPY5RNPY1RNMUR2
SCHEMBL31182445	0.89	NPY2R (0.68)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30618027	0.89	NPY2R (0.67)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30495766	0.89	NPY2R (0.67)	NPY2RNPY4RNPY5RNPY1RNMUR2
SCHEMBL29854495	0.89	NPY2R (0.72)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL9717732	0.89	NPY2R (0.68)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30835683	0.88	NPY2R (0.62)	NPY2RNPY4RNPY5RNPY1RNMUR2
SCHEMBL30906464	0.88	NPY2R (0.70)	NPY2RNPY4RNPY5RNPY1RNMUR2

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