SCHEMBL14865247

SCHEMBL14865247

Cc1ccc2c(c1)c1c(n2I)CN(C)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 16/20 0.51
HRH1 P35367 11/20 0.51
ADRA2A P08913 4/20 0.51
HTR2A P28223 4/20 0.51
HTR2C P28335 4/20 0.51
HTR7 P34969 4/20 0.51
ADRA1A P35348 4/20 0.51
DRD2 P14416 3/20 0.49
GRIN1 Q05586 2/20 0.46
GRIN2A Q12879 2/20 0.46
GRIN2B Q13224 2/20 0.46
GRIN2D O15399 1/20 0.46
GRIN3B O60391 1/20 0.46
GRIN2C Q14957 1/20 0.46
GRIN3A Q8TCU5 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
BCHE P06276 2/20 0.45
ADRA2B P18089 1/20 0.45
ADRA2C P18825 1/20 0.45
ACHE P22303 1/20 0.45

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
SCHEMBL13233206 0.85 HTR6 (0.53) HTR6HRH1ADRA2AHTR2AHTR2C
SCHEMBL14716451 0.79 HTR6 (0.48) HTR6HRH1ADRA2AHTR2AHTR2C
SCHEMBL13665758 0.76 HTR6 (0.56) HTR6HRH1ADRA2AHTR2AHTR2C
SCHEMBL13665492 0.76 HTR6 (0.56) HTR6HRH1ADRA2AHTR2AHTR2C
SCHEMBL13654472 0.76 HTR6 (0.43) HTR6HRH1ADRA2AHTR2AHTR2C
SCHEMBL25056609 0.76 HTR6 (0.64) HTR6HRH1ADRA2AHTR2AHTR2C
SCHEMBL30095919 0.76 HTR6 (0.64) HTR6HRH1ADRA2AHTR2AHTR2C
SCHEMBL18155177 0.75 HTR6 (0.47) HTR6HRH1ADRA2AHTR2AHTR2C
SCHEMBL1120515 0.75 PTGDR2 (0.60) HTR6HRH1ADRA2AHTR2AHTR2C
SCHEMBL1120722 0.74 HRH1 (0.56) HTR6HRH1ADRA2AHTR2AHTR2C

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
EP-1994004-B9 1,4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS JANSSEN PHARMACEUTICALS INC (US) 2013-04-17 EP disclosed