SCHEMBL19709276

CC(=O)C[C@H](NC(C)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)NC(CCCCNC(=O)CON)C(N)=O)[C@H](C)O)C(C)C

nearest known ligand 0.61

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	KDM1A	O60341	3/20	0.61

▸	MAOB	P27338	1/20	0.61

▸	KDM5A	P29375	1/20	0.61

▸	KDM1B	Q8NB78	1/20	0.61

▸	TFPI	P10646	6/20	0.57

▸	IL23R	Q5VWK5	1/20	0.56

▸	RAMP3	O60896	2/20	0.55

▸	CALCR	P30988	2/20	0.55

▸	NPY2R	P49146	4/20	0.55

▸	NPY4R	P50391	4/20	0.55

▸	NPY5R	Q15761	4/20	0.55

▸	KISS1R	Q969F8	2/20	0.55

▸	NPY1R	P25929	3/20	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
SCHEMBL19709273	0.88	KDM1A (0.60)	KDM1AMAOBKDM5AKDM1BTFPI
SCHEMBL29405698	0.83	TFPI (0.70)	KDM1ATFPIIL23RRAMP3CALCR
SCHEMBL14479418	0.81	KDM1A (0.61)	KDM1AMAOBKDM5AKDM1BTFPI
SCHEMBL14479434	0.80	KDM1A (0.61)	KDM1ATFPIKISS1R
SCHEMBL29404705	0.80	RAMP3 (0.70)	TFPIRAMP3CALCRNPY2RNPY4R
SCHEMBL31497351	0.80	KEAP1 (0.60)	KDM1ATFPIKISS1R
SCHEMBL11650961	0.80	OPRD1 (0.60)	TFPICALCR
SCHEMBL31031546	0.80	KDM1A (0.67)	KDM1AMAOBKDM5AKDM1BTFPI
SCHEMBL30375373	0.80	OPRD1 (0.59)	KDM1ATFPICALCRKISS1RNPY1R
SCHEMBL30176462	0.79	NPY2R (0.68)	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
WO-2017212298-A1	IMAGING AGENTS AND METHODS OF USE	Edinburgh Molecular Imaging Limited (GB)	2017-12-14	—	—	WO	disclosed