SCHEMBL5221582

SCHEMBL5221582

CSc1nccc(OC(C)CCN2CCN(c3cc(C4CCC4)nc(C(C)(C)C)n3)CC2)n1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 18/20 0.41
DRD3 P35462 18/20 0.41
HRH4 Q9H3N8 1/20 0.33
LRRK2 Q5S007 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL4390760 0.87 DRD2 (0.47) DRD2DRD3
SCHEMBL4392580 0.85 DRD2 (0.38) DRD2DRD3HRH4LRRK2
SCHEMBL4513972 0.85 DRD2 (0.38) DRD2DRD3HRH4LRRK2
SCHEMBL4392586 0.85 DRD2 (0.38) DRD2DRD3HRH4LRRK2
SCHEMBL4396041 0.76 DRD2 (0.50) DRD2DRD3
Hydrochloric Acid SCHEMBL4520854 0.76 DRD2 (0.49) DRD2DRD3
SCHEMBL4392491 0.75 DRD2 (0.49) DRD2DRD3
SCHEMBL4392111 0.75 DRD2 (0.47) DRD2DRD3
SCHEMBL4399853 0.75 DRD2 (0.50) DRD2DRD3HRH4
Hydrochloric Acid SCHEMBL4397256 0.74 DRD2 (0.49) DRD2DRD3HRH4

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1778684-A1 4-PIPERAZINYL-PYRIMIDINE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D<sb>3</sb> RECEPTOR Abbott GmbH & Co. KG (DE) 2007-05-02 EP disclosed
WO-2006015842-A1 4-PIPERAZINYL-PYRIMIDINE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2006-02-16 WO disclosed