SCHEMBL6364753

SCHEMBL6364753

NCCCCCc1cccc2c1C(C1c3ccccc3-c3ccccc31)c1ccccc1-2.c1ccc2c(c1)-c1ccccc1C2C1c2ccccc2-c2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.37
MAOA P21397 1/20 0.37
HRH1 P35367 6/20 0.35
TLR8 Q9NR97 3/20 0.34
SLC6A4 P31645 2/20 0.33
MPO P05164 1/20 0.33
CHRM2 P08172 1/20 0.32
HTR1A P08908 1/20 0.32
ADRA2A P08913 1/20 0.32
CHRM1 P11229 1/20 0.32
DRD1 P21728 1/20 0.32
ACHE P22303 1/20 0.32
SLC6A2 P23975 1/20 0.32
ADRA1A P35348 1/20 0.32
OPRM1 P35372 1/20 0.32
DRD3 P35462 1/20 0.32
SLC6A3 Q01959 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32

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
SCHEMBL10388652 0.84 HTR2A (0.43) HTR2AMAOAHRH1TLR8SLC6A4
SCHEMBL26077417 0.72 MAOA (0.58) HTR2AMAOAHRH1TLR8SLC6A4
SCHEMBL3680377 0.70 MAOA (0.61) HTR2AMAOAHRH1SLC6A4MPO
SCHEMBL7202268 0.70 TDO2 (0.38) HTR2ASLC6A4CHRM2HTR1AADRA2A
SCHEMBL8752773 0.69 LIPG (0.47) ACHE
SCHEMBL235557 0.69 LIPG (0.44) HTR2ASLC6A4ACHESLC6A2
SCHEMBL6758783 0.69 LIPG (0.44) HTR2ASLC6A4ACHESLC6A2
SCHEMBL1797128 0.69 LIPG (0.44) HTR2ASLC6A4ACHESLC6A2
SCHEMBL167383 0.69 LIPG (0.44) HTR2ASLC6A4ACHESLC6A2
SCHEMBL6759465 0.69 LIPG (0.44) HTR2ASLC6A4ACHESLC6A2

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
JP-2005232097-A BIS(BIFLUORENYL)-ARYLAMINE, METHOD FOR PRODUCING THE SAME AND HOLE INJECTION MATERIAL AND ORGANIC EL ELEMENT USING THE SAME CHEMIPROKASEI KAISHA LTD 2005-09-02 JP disclosed