SCHEMBL16976076

CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(N)=O

nearest known ligand 0.62

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	KDM1A	O60341	3/20	0.62

▸	MAOB	P27338	1/20	0.57

▸	KDM5A	P29375	1/20	0.57

▸	KDM1B	Q8NB78	1/20	0.57

▸	TFPI	P10646	6/20	0.57

▸	OPRM1	P35372	6/20	0.55

▸	OPRK1	P41145	6/20	0.55

▸	EPHA2	P29317	2/20	0.55

▸	NMUR2	Q9GZQ4	1/20	0.54

▸	NMUR1	Q9HB89	1/20	0.54

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
SCHEMBL16976105	0.95	KDM1A (0.61)	KDM1AMAOBKDM5AKDM1BTFPI
SCHEMBL14479342	0.95	KDM1A (0.61)	KDM1AMAOBKDM5AKDM1BTFPI
SCHEMBL14479329	0.95	KDM1A (0.61)	KDM1AMAOBKDM5AKDM1BTFPI
SCHEMBL14479444	0.94	KDM1A (0.62)	KDM1AMAOBKDM5AKDM1BTFPI
SCHEMBL14479371	0.93	KDM1A (0.60)	KDM1AMAOBKDM5AKDM1BTFPI
SCHEMBL14479411	0.93	KDM1A (0.60)	KDM1AMAOBKDM5AKDM1BTFPI
SCHEMBL14479427	0.92	KDM1A (0.60)	KDM1AMAOBKDM5AKDM1BTFPI
SCHEMBL14479336	0.92	KDM1A (0.61)	KDM1AMAOBKDM5AKDM1BTFPI
SCHEMBL14479418	0.91	KDM1A (0.61)	KDM1AMAOBKDM5AKDM1BTFPI
SCHEMBL16976064	0.90	KDM1A (0.62)	KDM1AMAOBKDM5AKDM1BTFPI

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-9096646-B2	CXCR4 receptor compounds	ANCHOR THERAPEUTICS, INC. (US)	2015-08-04	—	—	US	disclosed