SCHEMBL13445185

SCHEMBL13445185

CN1c2ccccc2Cc2ccc(I)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 9/20 0.39
DRD2 P14416 8/20 0.39
DRD1 P21728 8/20 0.39
DRD4 P21917 6/20 0.39
HTR2A P28223 3/20 0.39
ADRA2A P08913 3/20 0.39
ADRA2B P18089 3/20 0.39
ADRA2C P18825 3/20 0.39
SLC6A2 P23975 3/20 0.39
HTR2C P28335 3/20 0.39
SLC6A4 P31645 3/20 0.39
HTR2B P41595 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
LMNA P02545 2/20 0.39
ADRA1A P35348 2/20 0.39
HRH1 P35367 2/20 0.39
KCNH2 Q12809 2/20 0.39
TP53 P04637 2/20 0.39
CYP3A4 P08684 2/20 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
SCHEMBL12723261 0.83 MAOA (0.45) DRD3DRD2DRD1DRD4HTR2A
SCHEMBL29351597 0.82 MAOA (0.52) DRD3DRD2DRD1DRD4HTR2A
SCHEMBL975897 0.82 MAOA (0.52) DRD3DRD2DRD1DRD4HTR2A
Bromide SCHEMBL27751559 0.80 MAOA (0.50) DRD3DRD2DRD1DRD4HTR2A
SCHEMBL29735917 0.80 MAOA (0.50) DRD3DRD2DRD1DRD4HTR2A
Iodide SCHEMBL11862710 0.80 MAOA (0.50) DRD3DRD2DRD1DRD4HTR2A
SCHEMBL12841616 0.80 HTR2A (0.45) DRD3DRD2DRD1DRD4HTR2A
SCHEMBL17423265 0.79 ADRA2A (0.51) DRD3DRD2DRD1DRD4HTR2A
SCHEMBL2096899 0.79 DRD1 (0.54) DRD3DRD2DRD1DRD4HTR2A
SCHEMBL16852144 0.79 MEN1 (0.41) DRD3DRD2DRD1DRD4HTR2A

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-2161319-A2 Benzo(c)phenanthrene derivatives and organic electroluminescent device using the same Gracel Display Inc. (KR) 2010-03-10 EP disclosed