SCHEMBL30262093

CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCC(=O)O)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)O

nearest known ligand 0.71

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	NPY2R	P49146	7/20	0.61

▸	NPY4R	P50391	7/20	0.61

▸	NPY5R	Q15761	7/20	0.61

▸	NPY1R	P25929	5/20	0.61

▸	KDM1A	O60341	2/20	0.60

▸	MAOB	P27338	1/20	0.60

▸	KDM5A	P29375	1/20	0.60

▸	KDM1B	Q8NB78	1/20	0.60

▸	EP300	Q09472	1/20	0.60

▸	HIF1A	Q16665	1/20	0.60

▸	TFPI	P10646	4/20	0.60

▸	OPRD1	P41143	2/20	0.57

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
SCHEMBL30262150	0.92	NPY2R (0.62)	NPY2RNPY4RNPY5RNPY1RKDM1A
SCHEMBL30883237	0.89	NPY2R (0.63)	NPY2RNPY4RNPY5RNPY1RKDM1A
SCHEMBL31738531	0.89	NTSR1 (0.66)	NPY2RNPY4RNPY5RNPY1RKDM1A
SCHEMBL31548697	0.89	NTSR1 (0.66)	NPY2RNPY4RNPY5RNPY1RKDM1A
SCHEMBL30607429	0.89	NPY2R (0.66)	NPY2RNPY4RNPY5RNPY1RKDM1A
SCHEMBL30888269	0.88	NPY2R (0.70)	NPY2RNPY4RNPY5RNPY1RKDM1A
SCHEMBL30495766	0.88	NPY2R (0.67)	NPY2RNPY4RNPY5RNPY1REP300
SCHEMBL29805442	0.88	NPY2R (0.63)	NPY2RNPY4RNPY5RNPY1RKDM1A
SCHEMBL29521469	0.88	NPY2R (0.61)	NPY2RNPY4RNPY5RNPY1ROPRD1
SCHEMBL31174223	0.88	NPY2R (0.64)	NPY2RNPY4RNPY5RNPY1RKDM1A

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