SCHEMBL6853039

SCHEMBL6853039

C=C(c1ccc(F)cc1ON)C1CCN(CCc2c(C)nc3n(c2=O)CCCC3O)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 19/20 0.58
DRD2 P14416 18/20 0.58
HTR2C P28335 3/20 0.58
ADRA1A P35348 3/20 0.58
HRH1 P35367 3/20 0.58
KCNH2 Q12809 3/20 0.58
ADRA2A P08913 2/20 0.58
ADRA2B P18089 2/20 0.58
ADRA2C P18825 2/20 0.58
DRD1 P21728 2/20 0.58
DRD4 P21917 2/20 0.58
DRD5 P21918 2/20 0.58
HTR1D P28221 2/20 0.58
HTR1B P28222 2/20 0.58
HTR7 P34969 2/20 0.58
DRD3 P35462 2/20 0.58
SCN5A Q14524 2/20 0.58
KCND3 Q9UK17 1/20 0.58
HTR1A P08908 12/20 0.51
SLC22A2 O15244 1/20 0.42

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
SCHEMBL6850962 0.86 HTR2A (0.44) HTR2ADRD2HTR2CADRA1AHRH1
SCHEMBL12505640 0.85 HTR2A (0.43) HTR2ADRD2HTR2CADRA1AHRH1
SCHEMBL12504742 0.84 HTR2A (0.42) HTR2ADRD2HTR2CADRA1AHRH1
SCHEMBL28424510 0.82 HTR2A (0.63) HTR2ADRD2HTR2CADRA1AHRH1
SCHEMBL6910347 0.82 HTR2A (0.62) HTR2ADRD2HTR2CADRA1AHRH1
SCHEMBL30523199 0.82 HTR2A (0.62) HTR2ADRD2HTR2CADRA1AHRH1
SCHEMBL12296697 0.81 HTR2C (0.41) HTR2ADRD2HTR2CADRA1AHRH1
SCHEMBL3754907 0.80 HTR2A (0.60) HTR2ADRD2HTR2CADRA1AHRH1
SCHEMBL3754911 0.80 HTR2A (0.60) HTR2ADRD2HTR2CADRA1AHRH1
SCHEMBL8081063 0.80 HTR2A (0.60) HTR2ADRD2HTR2CADRA1AHRH1

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