SCHEMBL6883333

SCHEMBL6883333

CCOC(=O)OC1CCCn2c1nc(C)c(CCN1CCC(c3noc4cc(F)ccc34)CC1)c2=O

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 16/20 0.75
DRD2 P14416 14/20 0.75
KCNH2 Q12809 7/20 0.75
HTR7 P34969 6/20 0.75
HTR2C P28335 4/20 0.75
DRD3 P35462 3/20 0.75
ADRA2A P08913 3/20 0.75
ADRA1A P35348 3/20 0.75
HRH1 P35367 3/20 0.75
ADRA2B P18089 2/20 0.75
ADRA2C P18825 2/20 0.75
DRD1 P21728 2/20 0.75
DRD4 P21917 2/20 0.75
DRD5 P21918 2/20 0.75
HTR1D P28221 2/20 0.75
HTR1B P28222 2/20 0.75
SCN5A Q14524 2/20 0.75
KCND3 Q9UK17 1/20 0.75
ACHE P22303 3/20 0.66
SLC6A4 P31645 2/20 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
Hydrochloric Acid SCHEMBL3147935 0.99 HTR2A (0.74) HTR2ADRD2KCNH2HTR7HTR2C
Hydrochloric Acid SCHEMBL3151890 0.93 HTR2A (0.71) HTR2ADRD2KCNH2HTR7HTR2C
SCHEMBL3147845 0.92 HTR2A (0.74) HTR2ADRD2KCNH2HTR7HTR2C
SCHEMBL19484373 0.92 HTR2A (0.76) HTR2ADRD2KCNH2HTR7HTR2C
SCHEMBL12428786 0.92 DRD2 (0.78) HTR2ADRD2KCNH2HTR7HTR2C
SCHEMBL18849833 0.92 HTR2A (0.75) HTR2ADRD2KCNH2HTR7HTR2C
SCHEMBL3152563 0.90 DRD2 (0.75) HTR2ADRD2KCNH2HTR7HTR2C
Hydrochloric Acid SCHEMBL3139414 0.90 DRD2 (0.71) HTR2ADRD2KCNH2HTR7HTR2C
SCHEMBL15489518 0.90 DRD2 (0.74) HTR2ADRD2KCNH2HTR7HTR2C
SCHEMBL7979151 0.89 DRD2 (0.81) HTR2ADRD2KCNH2HTR7HTR2C

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-2011042450-A1 CARRIER LINKED PALIPERIDONE PRODRUGS ASCENDIS PHARMA AS (DK) 2011-04-14 WO disclosed