SCHEMBL30262135

CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1)[C@@H](C)O)C(C)C)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	KDM1A	O60341	3/20	0.63

▸	TFPI	P10646	1/20	0.61

▸	MAOB	P27338	1/20	0.59

▸	KDM5A	P29375	1/20	0.59

▸	KDM1B	Q8NB78	1/20	0.59

▸	VIPR2	P41587	4/20	0.58

▸	VIPR1	P32241	3/20	0.58

▸	NPY2R	P49146	7/20	0.58

▸	NPY4R	P50391	7/20	0.58

▸	NPY5R	Q15761	7/20	0.58

▸	NPY1R	P25929	5/20	0.58

▸	KEAP1	Q14145	1/20	0.56

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
SCHEMBL30432166	0.90	KEAP1 (0.65)	KDM1ATFPIMAOBKDM5AKDM1B
SCHEMBL31688328	0.90	TFPI (0.59)	KDM1ATFPIMAOBKDM5AKDM1B
SCHEMBL31000892	0.89	KEAP1 (0.61)	KDM1ATFPIMAOBKDM5AKDM1B
SCHEMBL31547376	0.87	GLP1R (0.70)	NPY2RNPY4RNPY5RNPY1R
SCHEMBL30906440	0.87	KEAP1 (0.68)	KDM1ATFPIVIPR2VIPR1KEAP1
SCHEMBL31402804	0.87	GLP1R (0.71)	NPY2RNPY4RNPY5RNPY1R
SCHEMBL29742976	0.86	MAPK8 (0.63)	TFPIVIPR2VIPR1NPY2RNPY4R
SCHEMBL30906447	0.86	KEAP1 (0.66)	KDM1ATFPIVIPR2VIPR1KEAP1
SCHEMBL30466505	0.85	IL23R (0.62)	NPY2RNPY4RNPY5RNPY1R
SCHEMBL30906421	0.85	KEAP1 (0.68)	TFPIKEAP1

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