SCHEMBL458123

SCHEMBL458123

IC1[C]=CCc2ccccc21

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.34
RET P07949 1/20 0.31
HTR2C P28335 1/20 0.31
HRH1 P35367 1/20 0.31
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRIN3A Q8TCU5 1/20 0.31
ANPEP P15144 1/20 0.31

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
SCHEMBL3389204 0.77 HTR2A (0.35) HTR2ARETHTR2CHRH1GRIN2D
SCHEMBL455932 0.75 HTR2A (0.34) HTR2ARETHTR2CHRH1GRIN2D
SCHEMBL4307808 0.75 HTR2A (0.34) HTR2ARETHTR2CHRH1GRIN2D
SCHEMBL458495 0.75 HTR2A (0.35) HTR2AHTR2CHRH1
SCHEMBL6521360 0.75 HTR2A (0.35) HTR2AHTR2CHRH1
SCHEMBL4290508 0.75 HTR2A (0.35) HTR2AHTR2CHRH1
SCHEMBL874497 0.75 HTR2A (0.34) HTR2ARETHTR2CHRH1GRIN2D
SCHEMBL8890669 0.72 CHRNB2 (0.33) HTR2AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3634708 0.72 PRCP (0.38) HTR2AHTR2C
SCHEMBL6272878 0.71 TSHR (0.40)

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
EP-2614053-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2013-07-17 EP disclosed
WO-2012033225-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-03-15 WO disclosed