SCHEMBL30262092

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

nearest known ligand 0.66

Predicted protein targets (top 12)

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

▸	TFPI	P10646	6/20	0.61

▸	MAOB	P27338	1/20	0.60

▸	KDM5A	P29375	1/20	0.60

▸	KDM1B	Q8NB78	1/20	0.60

▸	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	0.57

▸	OPRM1	P35372	1/20	0.57

▸	OPRK1	P41145	1/20	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
SCHEMBL30804652	0.91	KDM1A (0.60)	KDM1ATFPIMAOBKDM5AKDM1B
SCHEMBL30262210	0.89	KDM1A (0.74)	KDM1ATFPIMAOBKDM5AKDM1B
SCHEMBL31182747	0.89	CALCR (0.61)	KDM1ATFPINPY2RNPY4RNPY5R
SCHEMBL29514899	0.88	KDM1A (0.66)	KDM1ATFPIMAOBKDM5AKDM1B
SCHEMBL30607387	0.88	MAPK8 (0.61)	KDM1ATFPINPY2RNPY4RNPY5R
SCHEMBL30176414	0.88	TFPI (0.64)	KDM1ATFPIMAOBKDM5AKDM1B
SCHEMBL30567732	0.88	TFPI (0.64)	KDM1ATFPIMAOBKDM5AKDM1B
SCHEMBL30176437	0.88	TFPI (0.64)	KDM1ATFPIMAOBKDM5AKDM1B
SCHEMBL30607307	0.88	OPRM1 (0.57)	TFPINPY2RNPY4RNPY5RNPY1R
SCHEMBL30824295	0.88	NPY2R (0.64)	KDM1ATFPINPY2RNPY4RNPY5R

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