SCHEMBL4749218

Cc1c(F)cccc1C1C(C(=O)c2cccc(O)c2)CN(CCCCNC2CC2)CC1C(=O)[C@@H]1CN(CCCCNC2CC2)C[C@H](C(=O)c2cccc(O)c2)[C@@H]1c1cccc(F)c1C

nearest known ligand 0.35

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	DRD3	P35462	8/20	0.35

▸	DRD2	P14416	7/20	0.35

▸	HTR1A	P08908	7/20	0.35

▸	DRD1	P21728	7/20	0.35

▸	DRD4	P21917	7/20	0.35

▸	DRD5	P21918	7/20	0.35

▸	KDM2B	Q8NHM5	2/20	0.32

▸	ADRA1A	P35348	1/20	0.32

▸	MCHR1	Q99705	1/20	0.32

▸	L3MBTL1	Q9Y468	1/20	0.31

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
SCHEMBL4749235	1.00	DRD3 (0.35)	DRD3DRD2HTR1ADRD1DRD4
SCHEMBL4752839	0.97	DRD3 (0.34)	DRD3DRD2HTR1ADRD1DRD4
SCHEMBL4752837	0.97	DRD3 (0.34)	DRD3DRD2HTR1ADRD1DRD4
SCHEMBL4751841	0.89	DRD3 (0.34)	DRD3DRD2HTR1ADRD1DRD4
SCHEMBL4749510	0.89	DRD3 (0.34)	DRD3DRD2HTR1ADRD1DRD4
SCHEMBL4751833	0.89	DRD3 (0.34)	DRD3DRD2HTR1ADRD1DRD4
SCHEMBL4749471	0.89	DRD3 (0.34)	DRD3DRD2HTR1ADRD1DRD4
SCHEMBL4752868	0.88	DRD2 (0.33)	DRD3DRD2HTR1ADRD1DRD4
SCHEMBL4749151	0.88	DRD3 (0.33)	DRD3DRD2HTR1ADRD1DRD4
SCHEMBL4749501	0.88	DRD3 (0.33)	DRD3DRD2HTR1ADRD1DRD4

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