SCHEMBL8326588

SCHEMBL8326588

CCCOC1CCCn2c1nc(C)c(CCN1CCC(c3noc4cc(F)ccc34)CC1)c2=O

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 12/20 0.77
HTR2A P28223 11/20 0.77
KCNH2 Q12809 5/20 0.76
HTR2C P28335 3/20 0.76
ADRA1A P35348 3/20 0.76
HRH1 P35367 3/20 0.76
DRD3 P35462 3/20 0.76
ADRA2A P08913 2/20 0.76
ADRA2B P18089 2/20 0.76
ADRA2C P18825 2/20 0.76
DRD1 P21728 2/20 0.76
DRD4 P21917 2/20 0.76
DRD5 P21918 2/20 0.76
HTR1D P28221 2/20 0.76
HTR1B P28222 2/20 0.76
HTR7 P34969 2/20 0.76
SCN5A Q14524 2/20 0.76
KCND3 Q9UK17 1/20 0.76
HTR1A P08908 4/20 0.69
HRH3 Q9Y5N1 4/20 0.69

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
SCHEMBL15485975 0.92 DRD2 (0.74) DRD2HTR2AKCNH2HTR2CADRA1A
SCHEMBL15489407 0.92 DRD2 (0.74) DRD2HTR2AKCNH2HTR2CADRA1A
SCHEMBL7979151 0.91 DRD2 (0.81) DRD2HTR2AKCNH2HTR2CADRA1A
SCHEMBL21507456 0.91 DRD2 (0.72) DRD2HTR2AKCNH2HTR2CADRA1A
SCHEMBL12415657 0.91 DRD2 (0.76) DRD2HTR2AKCNH2HTR2CADRA1A
SCHEMBL13929410 0.90 DRD2 (0.80) DRD2HTR2AKCNH2HTR2CADRA1A
SCHEMBL12415662 0.90 HTR2A (0.72) DRD2HTR2AKCNH2HTR2CADRA1A
SCHEMBL15489408 0.90 HTR2A (0.76) DRD2HTR2AKCNH2HTR2CADRA1A
SCHEMBL24595429 0.90 DRD2 (0.70) DRD2HTR2AKCNH2HTR2CADRA1A
SCHEMBL801035 0.90 DRD2 (0.72) DRD2HTR2AKCNH2HTR2CADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0730594-B1 9-HYDROXY-PYRIDO [1,2-a]PYRIMIDIN-4-ONE ETHER DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 1999-09-08 EP claimed
EP-0730594-B1 9-HYDROXY-PYRIDO [1,2-a]PYRIMIDIN-4-ONE ETHER DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 1999-09-08 EP disclosed
EP-0730594-A1 NOVEL 9-HYDROXY-PYRIDO [1,2-a]PYRIMIDIN-4-ONE ETHER DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1996-09-11 EP disclosed
WO-1995014691-A1 NOVEL 9-HYDROXY-PYRIDO[1,2-a]PYRIMIDIN-4-ONE ETHER DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1995-06-01 WO disclosed