SCHEMBL16976064

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]1CCCN1C(=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@@H](C)O)C(N)=O

nearest known ligand 0.62

Predicted protein targets (top 12)

	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

▸	KEAP1	Q14145	1/20	0.56

▸	NPY2R	P49146	7/20	0.56

▸	NPY4R	P50391	7/20	0.56

▸	NPY5R	Q15761	7/20	0.56

▸	NPY1R	P25929	5/20	0.56

▸	TFPI	P10646	6/20	0.55

▸	RAMP3	O60896	1/20	0.55

▸	CALCR	P30988	1/20	0.55

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
SCHEMBL14479342	0.93	KDM1A (0.61)	KDM1AMAOBKDM5AKDM1BKEAP1
SCHEMBL16976105	0.93	KDM1A (0.61)	KDM1AMAOBKDM5AKDM1BKEAP1
SCHEMBL14479329	0.93	KDM1A (0.61)	KDM1AMAOBKDM5AKDM1BKEAP1
SCHEMBL14479371	0.92	KDM1A (0.60)	KDM1AMAOBKDM5AKDM1BNPY2R
SCHEMBL14479427	0.92	KDM1A (0.60)	KDM1AMAOBKDM5AKDM1BKEAP1
SCHEMBL17166400	0.92	KDM1A (0.59)	KDM1AKEAP1NPY2RNPY4RNPY5R
SCHEMBL17166404	0.92	KDM1A (0.60)	KDM1AMAOBKDM5AKDM1BKEAP1
SCHEMBL14479341	0.91	KDM1A (0.59)	KDM1AMAOBKDM5AKDM1BKEAP1
SCHEMBL14479372	0.91	KDM1A (0.58)	KDM1AKEAP1NPY2RNPY4RNPY5R
SCHEMBL14479444	0.91	KDM1A (0.62)	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-9096646-B2	CXCR4 receptor compounds	ANCHOR THERAPEUTICS, INC. (US)	2015-08-04	—	—	US	disclosed