SCHEMBL30262022

CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)O)[C@@H](C)CC)[C@@H](C)O

nearest known ligand 0.60

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	KDM1A	O60341	3/20	0.53

▸	MAOB	P27338	1/20	0.53

▸	KDM5A	P29375	1/20	0.53

▸	KDM1B	Q8NB78	1/20	0.53

▸	NPY2R	P49146	8/20	0.53

▸	NPY4R	P50391	8/20	0.53

▸	NPY5R	Q15761	8/20	0.53

▸	NPY1R	P25929	6/20	0.53

▸	CXCR4	P61073	2/20	0.52

▸	EP300	Q09472	1/20	0.51

▸	HIF1A	Q16665	1/20	0.51

▸	MAPK8	P45983	1/20	0.51

▸	MAPK9	P45984	1/20	0.51

▸	MAPK10	P53779	1/20	0.51

▸	CALCR	P30988	4/20	0.49

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
SCHEMBL30737588	0.91	MAPK8 (0.57)	KDM1AMAOBKDM5AKDM1BNPY2R
SCHEMBL30737676	0.91	MAPK8 (0.57)	KDM1AMAOBKDM5AKDM1BNPY2R
SCHEMBL30737634	0.91	MAPK8 (0.57)	KDM1AMAOBKDM5AKDM1BNPY2R
SCHEMBL30737842	0.90	NPY2R (0.57)	KDM1AMAOBKDM5AKDM1BNPY2R
SCHEMBL30737670	0.90	NPY2R (0.57)	KDM1AMAOBKDM5AKDM1BNPY2R
SCHEMBL30737514	0.90	NPY2R (0.57)	KDM1AMAOBKDM5AKDM1BNPY2R
SCHEMBL30737539	0.90	MAPK8 (0.56)	KDM1AMAOBKDM5AKDM1BNPY2R
SCHEMBL30737594	0.90	NPY2R (0.57)	KDM1AMAOBKDM5AKDM1BNPY2R
SCHEMBL30737579	0.90	MAPK8 (0.56)	KDM1AMAOBKDM5AKDM1BNPY2R
SCHEMBL29473687	0.90	MAPK8 (0.56)	KDM1AMAOBKDM5AKDM1BNPY2R

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