SCHEMBL6851797

SCHEMBL6851797

Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2OC(=O)CCCC=O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.70
HTR2A P28223 9/20 0.70
KCNH2 Q12809 4/20 0.70
ADRA2A P08913 3/20 0.70
HTR2C P28335 3/20 0.70
ADRA1A P35348 3/20 0.70
HRH1 P35367 3/20 0.70
ADRA2B P18089 2/20 0.70
ADRA2C P18825 2/20 0.70
DRD1 P21728 2/20 0.70
DRD4 P21917 2/20 0.70
DRD5 P21918 2/20 0.70
HTR1D P28221 2/20 0.70
HTR1B P28222 2/20 0.70
HTR7 P34969 2/20 0.70
DRD3 P35462 2/20 0.70
SCN5A Q14524 2/20 0.70
KCND3 Q9UK17 1/20 0.70
ACHE P22303 3/20 0.62
HTR6 P50406 3/20 0.62

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
SCHEMBL6881873 0.92 DRD2 (0.72) DRD2HTR2AKCNH2ADRA2AHTR2C
SCHEMBL1961482 0.92 DRD2 (0.72) DRD2HTR2AKCNH2ADRA2AHTR2C
SCHEMBL1958487 0.92 HTR2A (0.73) DRD2HTR2AKCNH2ADRA2AHTR2C
SCHEMBL21074527 0.92 HTR2A (0.69) DRD2HTR2AKCNH2ADRA2AHTR2C
SCHEMBL24018542 0.92 DRD2 (0.71) DRD2HTR2AKCNH2ADRA2AHTR2C
SCHEMBL22633922 0.92 HTR2A (0.71) DRD2HTR2AKCNH2ADRA2AHTR2C
SCHEMBL21295308 0.92 DRD2 (0.71) DRD2HTR2AKCNH2ADRA2AHTR2C
SCHEMBL22633920 0.92 DRD2 (0.71) DRD2HTR2AKCNH2ADRA2AHTR2C
SCHEMBL7343354 0.92 DRD2 (0.71) DRD2HTR2AKCNH2ADRA2AHTR2C
SCHEMBL4273254 0.92 DRD2 (0.71) DRD2HTR2AKCNH2ADRA2AHTR2C

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
WO-2011067220-A1 A PROCESS FOR THE PURIFICATION OF PALIPERIDONE CHEMO IBÉRICA, S.A. (ES) 2011-06-09 WO disclosed