SCHEMBL9050419

SCHEMBL9050419

COc1cccn2c(=O)c(CCN3CCC(c4onc5cc(F)ccc45)CC3)c(C)nc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 6/20 0.52
ADRA2B P18089 6/20 0.52
ADRA2C P18825 6/20 0.52
ADRA1A P35348 6/20 0.52
DRD2 P14416 10/20 0.49
HTR2A P28223 10/20 0.49
HTR1A P08908 4/20 0.49
HTR2C P28335 3/20 0.49
KCNH2 Q12809 3/20 0.49
DRD1 P21728 2/20 0.49
DRD4 P21917 2/20 0.49
DRD5 P21918 2/20 0.49
HTR1D P28221 2/20 0.49
HTR1B P28222 2/20 0.49
HTR7 P34969 2/20 0.49
HRH1 P35367 2/20 0.49
DRD3 P35462 2/20 0.49
SCN5A Q14524 2/20 0.49
CYP2D6 P10635 2/20 0.49
TSHR P16473 2/20 0.49

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
SCHEMBL1427955 0.90 DRD2 (0.50) ADRA2AADRA2BADRA2CADRA1ADRD2
SCHEMBL9050924 0.90 DRD2 (0.44) ADRA2AADRA2BADRA2CADRA1ADRD2
SCHEMBL9050755 0.90 DRD2 (0.45) ADRA2AADRA2BADRA2CADRA1ADRD2
SCHEMBL8328526 0.87 DRD2 (0.66) ADRA2AADRA2BADRA2CADRA1ADRD2
SCHEMBL7317636 0.85 HTR2C (0.61) ADRA2AADRA2BADRA2CADRA1ADRD2
SCHEMBL9050589 0.80 DRD2 (0.61) ADRA2AADRA2BADRA2CADRA1ADRD2
SCHEMBL1119172 0.79 DRD2 (0.75) ADRA2AADRA2BADRA2CADRA1ADRD2
SCHEMBL5328181 0.79 DRD2 (0.75) ADRA2AADRA2BADRA2CADRA1ADRD2
SCHEMBL4616132 0.78 DRD2 (0.53) ADRA2AADRA2BADRA2CADRA1ADRD2
SCHEMBL1842717 0.78 HTR2A (0.76) ADRA2AADRA2BADRA2CADRA1ADRD2

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