SCHEMBL4752017

Cc1ccccc1C(=O)C1CN(CCCCN(C)C)CC(C(=O)C2CN(CCCCN(C)C)CC(C(=O)c3ccccc3C)C2c2cccc(F)c2C)C1c1cccc(F)c1C

nearest known ligand 0.40

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	KIF11	P52732	3/20	0.40

▸	OPRM1	P35372	2/20	0.35

▸	ACHE	P22303	1/20	0.34

▸	SLC6A1	P30531	2/20	0.33

▸	KDM4E	B2RXH2	2/20	0.33

▸	EED	O75530	1/20	0.33

▸	MEN1	O00255	1/20	0.33

▸	KMT2A	Q03164	1/20	0.33

▸	SMN1; SMN2	Q16637	1/20	0.33

▸	ALDH1A1	P00352	1/20	0.32

▸	SIRT2	Q8IXJ6	1/20	0.32

▸	CHRM1	P11229	1/20	0.32

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
SCHEMBL4749430	0.89	KIF11 (0.35)	KIF11ACHEKDM4E
SCHEMBL4751580	0.89	KIF11 (0.35)	KIF11ACHEKDM4E
SCHEMBL4749489	0.89	KIF11 (0.36)	KIF11OPRM1KDM4EEEDALDH1A1
SCHEMBL4749485	0.89	KIF11 (0.36)	KIF11OPRM1KDM4EEEDALDH1A1
SCHEMBL4749270	0.86	KIF11 (0.35)	KIF11ACHEALDH1A1
SCHEMBL4749258	0.86	KIF11 (0.35)	KIF11ACHEALDH1A1
SCHEMBL4749425	0.86	PIN1 (0.36)	KIF11ACHEKDM4E
SCHEMBL4749443	0.86	PIN1 (0.36)	KIF11ACHEKDM4E
SCHEMBL4751821	0.85	MEN1 (0.36)	KIF11ACHEKDM4EMEN1KMT2A
SCHEMBL4749070	0.84	SLC6A1 (0.36)	KIF11OPRM1ACHESLC6A1MEN1

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-2008140810-A1	CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS	CYTOKINETICS, INCORPORATED (US)	2008-11-20	—	—	WO	disclosed