SCHEMBL8328526

SCHEMBL8328526

COc1cccn2c(=O)c(CCN3CCC(c4noc5cc(F)ccc45)CC3)c(C)nc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.66
HTR2A P28223 8/20 0.66
ADRA2A P08913 3/20 0.66
ADRA2B P18089 3/20 0.66
ADRA2C P18825 3/20 0.66
HTR2C P28335 3/20 0.66
ADRA1A P35348 3/20 0.66
DRD1 P21728 2/20 0.66
DRD4 P21917 2/20 0.66
DRD5 P21918 2/20 0.66
HTR1D P28221 2/20 0.66
HTR1B P28222 2/20 0.66
HTR7 P34969 2/20 0.66
HRH1 P35367 2/20 0.66
DRD3 P35462 2/20 0.66
KCNH2 Q12809 2/20 0.66
SCN5A Q14524 2/20 0.66
SLC6A4 P31645 2/20 0.66
ACHE P22303 2/20 0.66
SLC22A2 O15244 1/20 0.66

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
Ocaperidone SCHEMBL122321 0.91 DRD2 (0.66) DRD2HTR2AADRA2AADRA2BADRA2C
Ocaperidone SCHEMBL29710913 0.91 DRD2 (0.66) DRD2HTR2AADRA2AADRA2BADRA2C
SCHEMBL1430466 0.90 DRD2 (0.65) DRD2HTR2AADRA2AADRA2BADRA2C
SCHEMBL8324484 0.90 DRD2 (0.59) DRD2HTR2AADRA2AADRA2BADRA2C
SCHEMBL8327642 0.90 DRD2 (0.59) DRD2HTR2AADRA2AADRA2BADRA2C
SCHEMBL8319486 0.90 DRD2 (0.59) DRD2HTR2AADRA2AADRA2BADRA2C
SCHEMBL8070959 0.90 DRD2 (0.59) DRD2HTR2AADRA2AADRA2BADRA2C
SCHEMBL7299513 0.89 DRD2 (0.65) DRD2HTR2AADRA2AADRA2BADRA2C
SCHEMBL7298917 0.89 DRD2 (0.63) DRD2HTR2AADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL7298070 0.87 DRD2 (0.62) DRD2HTR2AADRA2AADRA2BADRA2C

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