SCHEMBL4391043

SCHEMBL4391043

CC(C)(C)c1nc(C2CCC2)cc(N2CCN(CCCSc3ccncc3)CC2)n1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 20/20 0.51
DRD3 P35462 20/20 0.51
DRD1 P21728 2/20 0.41
DRD5 P21918 2/20 0.41
HTR1A P08908 1/20 0.41
ADRA2C P18825 1/20 0.41
HTR2A P28223 1/20 0.41
HTR7 P34969 1/20 0.41
HRH1 P35367 1/20 0.41

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
Hydrochloric Acid SCHEMBL4530655 0.99 DRD2 (0.50) DRD2DRD3DRD1DRD5HTR1A
SCHEMBL4399853 0.85 DRD2 (0.50) DRD2DRD3DRD1DRD5HTR1A
SCHEMBL4397216 0.85 DRD2 (0.49) DRD2DRD3
Hydrochloric Acid SCHEMBL4397256 0.85 DRD2 (0.49) DRD2DRD3DRD1DRD5HTR1A
SCHEMBL4399844 0.84 DRD2 (0.51) DRD2DRD3DRD1DRD5HTR1A
SCHEMBL4396041 0.83 DRD2 (0.50) DRD2DRD3
SCHEMBL4392911 0.83 DRD2 (0.48) DRD2DRD3
Hydrochloric Acid SCHEMBL4515168 0.83 DRD2 (0.51) DRD2DRD3DRD1DRD5HTR1A
SCHEMBL391471 0.83 DRD2 (0.47) DRD2DRD3
SCHEMBL4392026 0.83 DRD2 (0.51) DRD2DRD3

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1778684-B1 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) 2009-12-16 EP disclosed