SCHEMBL3635649

SCHEMBL3635649

[CH2]CCNc1c([N+](=O)[O-])cnc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
DRD2 P14416 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
CHRM3 P20309 1/20 0.44
MAOA P21397 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
ADORA2A P29274 1/20 0.44
ADRA1A P35348 1/20 0.44
HRH1 P35367 1/20 0.44
DRD3 P35462 1/20 0.44
HTR2B P41595 1/20 0.44
PDE4D Q08499 1/20 0.44
KCNH2 Q12809 1/20 0.44
MAPT P10636 5/20 0.44
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
SMN1; SMN2 Q16637 3/20 0.44

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
SCHEMBL4344919 0.92 CHRM2 (0.47) CHRM2CHRM1DRD2ADRA2BADRA2C
SCHEMBL6098673 0.88 MAPT (0.52) CHRM2CHRM1DRD2ADRA2BADRA2C
SCHEMBL5354341 0.86 CHRM2 (0.44) CHRM2CHRM1DRD2ADRA2BADRA2C
SCHEMBL18587552 0.86 MAPT (0.50) CHRM2CHRM1DRD2ADRA2BADRA2C
SCHEMBL6493971 0.86 POLB (0.54) CHRM2CHRM1DRD2ADRA2BADRA2C
SCHEMBL5358407 0.85 CHRM2 (0.48) CHRM2CHRM1DRD2ADRA2BADRA2C
SCHEMBL4321129 0.84 ADRA1A (0.50) CHRM2CHRM1DRD2ADRA2BADRA2C
SCHEMBL9603172 0.84 MAPT (0.54) CHRM2CHRM1DRD2ADRA2BADRA2C
SCHEMBL6718844 0.84 MAPT (0.50) CHRM2CHRM1DRD2ADRA2BADRA2C
SCHEMBL2888870 0.84 POLB (0.56) CHRM2CHRM1DRD2ADRA2BADRA2C

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
CN-1353609-B Amide substituted imidazoquinolines 3M INNOVATIVE PROPERTIES CO 2011-07-13 CN disclosed
EP-2155743-A1 IMIDAZOQUINOLINES WITH IMMUNO-MODULATING PROPERTIES AstraZeneca AB (SE) 2010-02-24 EP disclosed
WO-2008135791-A1 IMIDAZOQUINOLINES WITH IMMUNO-MODULATING PROPERTIES ASTRAZENECA AB (SE) 2008-11-13 WO disclosed
CN-1353609-A Amide substituted imidazoquinolines 3M INNOVATIVE PROPERTIES CO (US) 2002-06-12 CN disclosed