SCHEMBL14767895

SCHEMBL14767895

C=CCCC1c2ccccc2-c2ccc(B(O)O)cc21

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
TDO2 P48775 1/20 0.31
HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL3799595 0.82 HTR2A (0.48) HTR2ACA1CA2TDO2HRH3
SCHEMBL1517243 0.72 CA1 (0.44) CA1CA2
SCHEMBL5669994 0.72 HTR2A (0.45) HTR2ACA1CA2TDO2HRH3
SCHEMBL13496287 0.71 LIPG (0.46) CA1CA2
SCHEMBL9161284 0.71 HTR2A (0.44) HTR2ACA1CA2TDO2HRH3
SCHEMBL14767884 0.69 HPGD (0.36)
SCHEMBL22347020 0.66 HTR2A (0.50) HTR2ACA1CA2TDO2HRH3
SCHEMBL27876900 0.66 GPR3 (0.40) CA1CA2HRH3
SCHEMBL5353138 0.65 HTR2A (0.64) HTR2ACA1CA2TDO2HRH3
SCHEMBL28923189 0.65 HTR2A (0.48) HTR2ACA1CA2TDO2

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-1542962-B1 Monoaminofluorene compound and organic light-emitting device using the same CANON KK (JP) 2013-03-13 EP disclosed