SCHEMBL458529

SCHEMBL458529

C#CC1[C]=CCc2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.33
MAOA P21397 4/20 0.33
BCHE P06276 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
ACHE P22303 1/20 0.33
ADRA1A P35348 1/20 0.33
HTR6 P50406 1/20 0.33
HTR2A P28223 1/20 0.31
NOS3 P29474 1/20 0.30
NOS2 P35228 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
SCHEMBL3389204 0.72 HTR2A (0.35) HTR2A
SCHEMBL4290508 0.71 HTR2A (0.35) HTR2A
SCHEMBL455932 0.71 HTR2A (0.34) HTR2A
SCHEMBL4307808 0.71 HTR2A (0.34) MAOBMAOAHTR2A
SCHEMBL458123 0.71 HTR2A (0.34) HTR2A
SCHEMBL458495 0.71 HTR2A (0.35) HTR2A
SCHEMBL6521360 0.71 HTR2A (0.35) HTR2A
SCHEMBL874497 0.71 HTR2A (0.34) MAOBMAOAHTR2A
SCHEMBL3634708 0.68 PRCP (0.38) HTR2A
SCHEMBL8890669 0.68 CHRNB2 (0.33) HTR2A

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