SCHEMBL14595451

SCHEMBL14595451

Cc1cc(-c2ccc3c(c2)c2c(n3C)CN(C)CC2)cc(-c2ccc3c(c2)c2c(n3C)CN(C)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 5/20 0.47
MCHR1 Q99705 3/20 0.47
SIRT1 Q96EB6 2/20 0.47
DRD2 P14416 3/20 0.44
DRD1 P21728 1/20 0.44
DRD5 P21918 1/20 0.44
DRD3 P35462 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
HTR6 P50406 8/20 0.42
HRH1 P35367 5/20 0.40
ADRA2A P08913 3/20 0.40
HTR2A P28223 3/20 0.40
HTR2C P28335 3/20 0.40
HTR7 P34969 3/20 0.40
ADRA1A P35348 3/20 0.40
ALOX5 P09917 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39

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 0.84 HTR6 (0.53) DRD2DRD1DRD5DRD3CYP1A2
SCHEMBL14595449 0.82 ALOX5 (0.58) SIRT2SIRT1HTR2AHTR2CALOX5
SCHEMBL8803935 0.73 CYP1A2 (0.73) DRD2DRD1DRD5DRD3CYP1A2
SCHEMBL25056609 0.73 HTR6 (0.64) DRD2DRD3CYP1A2CYP2D6HTR6
SCHEMBL30095919 0.73 HTR6 (0.64) DRD2DRD3CYP1A2CYP2D6HTR6
SCHEMBL14865247 0.70 HTR6 (0.51) DRD2DRD3HTR6HRH1ADRA2A
SCHEMBL12868092 0.70 HTR6 (0.50) DRD2DRD3CYP1A2CYP2D6HTR6
SCHEMBL13787272 0.69 MCHR1 (0.83) MCHR1
SCHEMBL3475699 0.69 MCHR1 (0.50) MCHR1DRD2DRD1DRD5DRD3
SCHEMBL18035002 0.69 MCHR1 (0.55) MCHR1CYP1A2CYP2D6HTR6HRH1

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
US-20070009760-A1 Coordination metal compound, material for organic electroluminescence device, material for luminescent coating formation and organic electroluminescence device INOUE TETSUYA 2007-01-11 US disclosed
US-20070009760-A1 Coordination metal compound, material for organic electroluminescence device, material for luminescent coating formation and organic electroluminescence device INOUE TETSUYA 2007-01-11 US disclosed