SCHEMBL4774146

CCCN1C[C@H](C(=O)c2ccccc2)C(c2cccc(C)c2C)[C@@H](C(=O)c2ccccc2)C1.Cc1cccc(C2[C@@H](C(=O)c3ccccc3)CN(CC(=O)N(C)C)C[C@@H]2C(=O)c2ccccc2)c1

nearest known ligand 0.38

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	DRD3	P35462	4/20	0.38

▸	DRD2	P14416	4/20	0.38

▸	DRD4	P21917	3/20	0.38

▸	DRD1	P21728	1/20	0.38

▸	DRD5	P21918	1/20	0.38

▸	KDM2B	Q8NHM5	2/20	0.34

▸	KIF11	P52732	1/20	0.33

▸	GRIN2B	Q13224	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
SCHEMBL4776569	0.88	KIF11 (0.39)	KIF11GRIN2B
SCHEMBL4776575	0.88	KIF11 (0.39)	KIF11GRIN2B
SCHEMBL4024495	0.86	DRD2 (0.43)	DRD3DRD2DRD4DRD1DRD5
SCHEMBL4024526	0.86	KIF11 (0.37)	KIF11GRIN2B
SCHEMBL4024492	0.86	DRD2 (0.43)	DRD3DRD2DRD4DRD1DRD5
SCHEMBL4020347	0.86	KIF11 (0.37)	KIF11GRIN2B
SCHEMBL4020344	0.86	KIF11 (0.37)	KIF11GRIN2B
SCHEMBL4776377	0.84	KCNH2 (0.42)	DRD3KDM2BKIF11
SCHEMBL4024639	0.82	OPRM1 (0.36)	KIF11
SCHEMBL4024642	0.82	OPRM1 (0.36)	KIF11

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-1962846-A2	CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS	Cytokinetics, Inc. (US)	2008-09-03	—	—	EP	disclosed
WO-2007059323-A2	CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS	CYTOKINETICS, INC. (US)	2007-05-24	—	—	WO	disclosed