SCHEMBL21074591

SCHEMBL21074591

CCC1CCCn2c1nc(C)c(CCN1CCC(c3noc4cc(F)ccc34)CC1)c2=O

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 12/20 0.83
DRD2 P14416 11/20 0.83
HTR2C P28335 7/20 0.81
HTR7 P34969 3/20 0.81
KCNH2 Q12809 3/20 0.81
ADRA2A P08913 2/20 0.81
ADRA2B P18089 2/20 0.81
ADRA2C P18825 2/20 0.81
DRD1 P21728 2/20 0.81
DRD4 P21917 2/20 0.81
DRD5 P21918 2/20 0.81
HTR1D P28221 2/20 0.81
HTR1B P28222 2/20 0.81
ADRA1A P35348 2/20 0.81
HRH1 P35367 2/20 0.81
DRD3 P35462 2/20 0.81
SCN5A Q14524 2/20 0.81
KCND3 Q9UK17 1/20 0.81
ACHE P22303 3/20 0.74
SLC6A4 P31645 2/20 0.74

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
SCHEMBL15489409 0.94 HTR2A (0.80) HTR2ADRD2HTR2CHTR7KCNH2
SCHEMBL7348719 0.93 DRD2 (0.78) HTR2ADRD2HTR2CHTR7KCNH2
SCHEMBL14068778 0.91 DRD2 (0.76) HTR2ADRD2HTR2CHTR7KCNH2
SCHEMBL30618926 0.91 DRD2 (0.76) HTR2ADRD2HTR2CHTR7KCNH2
SCHEMBL7382834 0.91 HTR2A (0.80) HTR2ADRD2HTR2CHTR7KCNH2
SCHEMBL801449 0.91 DRD2 (0.85) HTR2ADRD2HTR2CHTR7KCNH2
SCHEMBL7299943 0.90 DRD2 (0.80) HTR2ADRD2HTR2CHTR7KCNH2
Paliperidone SCHEMBL20572022 0.90 DRD2 (1.00) HTR2ADRD2HTR2CHTR7KCNH2
Paliperidone SCHEMBL436689 0.90 DRD2 (1.00) HTR2ADRD2HTR2CHTR7KCNH2
SCHEMBL17245287 0.90 DRD2 (0.84) HTR2ADRD2HTR2CHTR7KCNH2

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-3556759-B1 HAPTENS OF PALIPERIDONE JANSSEN PHARMACEUTICA NV (BE) 2023-11-29 EP disclosed
EP-2888258-B1 HAPTENS OF PALIPERIDONE JANSSEN PHARMACEUTICA NV (BE) 2019-06-05 EP disclosed