SCHEMBL1652124

CC(=O)c1c(-c2ccccn2)nn(CC2CC2)c(=O)c1Nc1cc(Cl)cc(Cl)c1.CC(=O)c1c(-c2ccccn2)nn(CCO)c(=O)c1Nc1cccc(C#N)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

	gene	UniProt	supporting neighbours	confidence
▸	BRD4	O60885	2/20	0.38

▸	CREBBP	Q92793	2/20	0.38

▸	EP300	Q09472	1/20	0.38

▸	GRM4	Q14833	1/20	0.36

▸	MCHR1	Q99705	4/20	0.35

▸	SLC34A1	Q06495	3/20	0.35

▸	PDE4A	P27815	2/20	0.35

▸	PDE4B	Q07343	2/20	0.35

▸	PDE4C	Q08493	1/20	0.35

▸	PDE4D	Q08499	1/20	0.35

▸	MAPK14	Q16539	1/20	0.35

▸	CACNA1H	O95180	1/20	0.34

▸	TGFBR1	P36897	1/20	0.33

▸	CCR3	P51677	1/20	0.33

▸	ACHE	P22303	1/20	0.33

▸	BACE1	P56817	1/20	0.33

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
SCHEMBL1652321	0.91	BRD4 (0.43)	BRD4CREBBPEP300GRM4MCHR1
SCHEMBL3029577	0.89	GRM4 (0.43)	GRM4MCHR1PDE4APDE4BPDE4C
SCHEMBL3036028	0.87	PDE4A (0.42)	BRD4CREBBPEP300SLC34A1PDE4A
SCHEMBL1652424	0.85	PDE4A (0.47)	BRD4CREBBPEP300GRM4MCHR1
SCHEMBL3040798	0.83	PARP1 (0.43)	GRM4MCHR1PDE4BACHEBACE1
SCHEMBL6173923	0.83	BRD4 (0.42)	BRD4CREBBPEP300PDE4APDE4B
SCHEMBL3032851	0.81	PDE4B (0.50)	GRM4PDE4APDE4BPDE4CPDE4D
SCHEMBL4708006	0.80	PDE4A (0.47)	BRD4CREBBPEP300MCHR1SLC34A1
SCHEMBL4706654	0.80	PDE4B (0.52)	BRD4CREBBPEP300MCHR1SLC34A1
SCHEMBL3032602	0.79	PDE4B (0.44)	BRD4CREBBPEP300GRM4MCHR1

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
JP-4679154-B2	—	—	2011-04-27	—	—	JP	claimed