SCHEMBL17166404

CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)CCCCN)[C@@H](C)O)C(N)=O

nearest known ligand 0.60

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	KDM1A	O60341	3/20	0.60

▸	KEAP1	Q14145	1/20	0.57

▸	MAOB	P27338	1/20	0.56

▸	KDM5A	P29375	1/20	0.56

▸	KDM1B	Q8NB78	1/20	0.56

▸	TFPI	P10646	3/20	0.54

▸	NPY2R	P49146	6/20	0.54

▸	NPY4R	P50391	6/20	0.54

▸	NPY5R	Q15761	6/20	0.54

▸	NPY1R	P25929	5/20	0.54

▸	OPRM1	P35372	4/20	0.54

▸	OPRK1	P41145	4/20	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
SCHEMBL17166400	0.96	KDM1A (0.59)	KDM1AKEAP1TFPINPY2RNPY4R
SCHEMBL14479341	0.94	KDM1A (0.59)	KDM1AKEAP1MAOBKDM5AKDM1B
SCHEMBL14479434	0.93	KDM1A (0.61)	KDM1AKEAP1TFPIOPRM1OPRK1
SCHEMBL16976064	0.92	KDM1A (0.62)	KDM1AKEAP1MAOBKDM5AKDM1B
SCHEMBL17166411	0.91	KISS1R (0.66)	KDM1ANPY2RNPY4RNPY5RNPY1R
SCHEMBL14479406	0.90	KDM1A (0.59)	KDM1AKEAP1MAOBKDM5AKDM1B
SCHEMBL14479365	0.90	KDM1A (0.61)	KDM1AKEAP1TFPINPY2RNPY4R
SCHEMBL14479372	0.89	KDM1A (0.58)	KDM1AKEAP1TFPINPY2RNPY4R
SCHEMBL14479433	0.89	OPRM1 (0.64)	KDM1AKEAP1TFPIOPRM1OPRK1
SCHEMBL14479329	0.89	KDM1A (0.61)	KDM1AKEAP1MAOBKDM5AKDM1B

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-9155795-B2	CXCR4 receptor compounds	ANCHOR THERAPEUTICS, INC. (US)	2015-10-13	—	—	US	disclosed