SCHEMBL12295392

SCHEMBL12295392

CNCc1cc(Cl)c(C(C)C)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 10/20 0.42
SLC6A2 P23975 5/20 0.42
SLC6A3 Q01959 5/20 0.42
KDM4E B2RXH2 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
HTR2A P28223 7/20 0.36
GAA P10253 1/20 0.36
HTR1A P08908 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
HTR2C P28335 1/20 0.36
HTR1E P28566 1/20 0.36
HTR7 P34969 1/20 0.36
HTR2B P41595 1/20 0.36
HTR5A P47898 1/20 0.36
HTR6 P50406 1/20 0.36
PNMT P11086 1/20 0.34
KCNH2 Q12809 6/20 0.33
NCF1 P14598 1/20 0.33

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
SCHEMBL14872331 0.77 SLC6A4 (0.44) SLC6A4SLC6A2SLC6A3KDM4ECYP3A4
SCHEMBL12305665 0.76 HSD17B10 (0.44) SLC6A4SLC6A2SLC6A3KDM4ECYP3A4
SCHEMBL5591192 0.76 CYP3A4 (0.44) SLC6A4SLC6A2SLC6A3KDM4ECYP3A4
SCHEMBL12985880 0.75 PNMT (0.38) HTR2AHTR1AHTR2CHTR2BPNMT
SCHEMBL807531 0.73 CSNK2A1 (0.48) SLC6A2SLC6A3CYP3A4PNMTLOXL2
SCHEMBL807271 0.73 THRB (0.44) KDM4EMAPTPNMT
SCHEMBL17480806 0.73 KDM4E (0.39) KDM4ECYP3A4MAPTHTR7NCF1
SCHEMBL13339967 0.72 KDM4E (0.52) SLC6A4SLC6A2SLC6A3KDM4ECYP3A4
SCHEMBL13748018 0.72 KDM4E (0.37) KDM4EMAPTPNMT
SCHEMBL4835197 0.72 GAA (0.46) SLC6A4SLC6A2SLC6A3KDM4EMAPT

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-2011113802-A2 IMIDAZOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2011-09-22 WO disclosed