SCHEMBL30262210

CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)O

nearest known ligand 0.74

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	KDM1A	O60341	3/20	0.74

▸	MAOB	P27338	1/20	0.67

▸	KDM5A	P29375	1/20	0.67

▸	KDM1B	Q8NB78	1/20	0.67

▸	MAPK8	P45983	1/20	0.65

▸	MAPK9	P45984	1/20	0.65

▸	MAPK10	P53779	1/20	0.65

▸	TFPI	P10646	6/20	0.63

▸	NPY2R	P49146	7/20	0.60

▸	NPY4R	P50391	7/20	0.60

▸	NPY5R	Q15761	7/20	0.60

▸	NPY1R	P25929	5/20	0.60

▸	EPHA2	P29317	1/20	0.58

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
SCHEMBL30903282	0.91	KDM1A (0.69)	KDM1AMAOBKDM5AKDM1BMAPK8
SCHEMBL29393469	0.89	MAPK8 (0.73)	KDM1AMAOBKDM5AKDM1BMAPK8
SCHEMBL30262092	0.89	KDM1A (0.63)	KDM1AMAOBKDM5AKDM1BTFPI
SCHEMBL29811066	0.89	KDM1A (0.69)	KDM1AMAOBKDM5AKDM1BMAPK8
SCHEMBL29492018	0.88	KDM1A (0.66)	KDM1AMAOBKDM5AKDM1BMAPK8
SCHEMBL30111330	0.88	KDM1A (0.66)	KDM1AMAOBKDM5AKDM1BTFPI
SCHEMBL30607283	0.87	MAPK8 (0.63)	KDM1AMAOBKDM5AKDM1BMAPK8
SCHEMBL30804652	0.87	KDM1A (0.60)	KDM1AMAOBKDM5AKDM1BTFPI
SCHEMBL30432199	0.87	NPY2R (0.67)	KDM1AMAPK8MAPK9MAPK10TFPI
SCHEMBL1371717	0.87	KDM1A (0.71)	KDM1AMAOBKDM5AKDM1BMAPK8

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