SCHEMBL2420293

SCHEMBL2420293

c1ccc2c(CCCN3CCCCC3)c[nH]c2c1

nearest known ligand 0.86

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.86
HTR2A P28223 2/20 0.76
LMNA P02545 1/20 0.68
HTT P42858 1/20 0.68
KDM4E B2RXH2 1/20 0.68
MAPK1 P28482 1/20 0.68
JAK2 O60674 1/20 0.67
RAB9A P51151 1/20 0.67
MPO P05164 1/20 0.65
DRD2 P14416 2/20 0.62
SLC6A4 P31645 1/20 0.62
HTR7 P34969 1/20 0.62
HRH1 P35367 1/20 0.62
DRD3 P35462 1/20 0.62
ALDH1A1 P00352 1/20 0.62
HTR1D P28221 1/20 0.60
HTR1B P28222 1/20 0.60
ADRA1D P25100 1/20 0.60

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
SCHEMBL2259204 0.98 HTR1A (0.88) HTR1AHTR2ALMNAHTTKDM4E
SCHEMBL5170230 0.94 HTR1A (0.81) HTR1AHTR2ALMNAHTTKDM4E
SCHEMBL32669458 0.91 HTR2A (0.91) HTR1AHTR2ALMNAHTTKDM4E
SCHEMBL734226 0.91 HTR2A (0.91) HTR1AHTR2ALMNAHTTKDM4E
SCHEMBL733629 0.89 HTR2A (0.94) HTR1AHTR2ALMNAHTTKDM4E
SCHEMBL29543272 0.89 HTR2A (0.94) HTR1AHTR2ALMNAHTTKDM4E
SCHEMBL1377300 0.87 HTR1A (0.83) HTR1AHTR2ADRD2SLC6A4HTR7
SCHEMBL20329100 0.87 HTR1A (0.89) HTR1AHTR2AMPODRD2SLC6A4
SCHEMBL25295661 0.86 HTR2A (1.00) HTR1AHTR2ALMNAHTTKDM4E
SCHEMBL8338190 0.85 HTR1A (0.84) HTR1AHTR2ADRD2SLC6A4HTR7

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8252559-B2 Methods and systems for selective fluorination of organic molecules THE CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2012-08-28 US disclosed
US-8026085-B2 Methods and systems for selective fluorination of organic molecules CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2011-09-27 US disclosed
US-20090209010-A1 METHODS AND SYSTEMS FOR SELECTIVE FLUORINATION OF ORGANIC MOLECULES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2009-08-20 US disclosed
EP-2069513-A2 METHODS AND SYSTEMS FOR SELECTIVE FLUORINATION OF ORGANIC MOLECULES California Institute of Technology (US) 2009-06-17 EP disclosed
US-20090061471-A1 Methods and systems for selective fluorination of organic molecules INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2009-03-05 US disclosed
WO-2008016709-A9 METHODS AND SYSTEMS FOR SELECTIVE FLUORINATION OF ORGANIC MOLECULES CALIFORNIA INST OF TECHN (US) 2008-05-29 WO disclosed
WO-2008016709-A2 METHODS AND SYSTEMS FOR SELECTIVE FLUORINATION OF ORGANIC MOLECULES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2008-02-07 WO disclosed
US-4148796-A γ-Piperidinobutyrophenones SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1979-04-10 US disclosed