SCHEMBL455641

SCHEMBL455641

CCC1[C]=CCc2ccccc21

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 8/20 0.34
HRH1 P35367 5/20 0.33
RET P07949 1/20 0.32
HTR2C P28335 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
ADRA1B P35368 1/20 0.32
PRCP P42785 1/20 0.32
DRD3 P35462 1/20 0.32
HTR6 P50406 1/20 0.32
DRD2 P14416 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
SCHEMBL11026480 0.79 MEN1 (0.32) HTR2AHRH1RETHTR2C
SCHEMBL2169848 0.77 HTR1A (0.39) HTR2AHRH1RETHTR2CADRA1B
SCHEMBL4310302 0.75 HTR2A (0.33) HTR2AHRH1RETHTR2CPRCP
SCHEMBL458495 0.75 HTR2A (0.35) HTR2AHRH1HTR2CPRCP
SCHEMBL4290508 0.75 HTR2A (0.35) HTR2AHRH1HTR2CPRCP
SCHEMBL6521360 0.75 HTR2A (0.35) HTR2AHRH1HTR2CPRCP
SCHEMBL3389204 0.72 HTR2A (0.35) HTR2AHRH1RETHTR2C
SCHEMBL8890669 0.72 CHRNB2 (0.33) HTR2A
SCHEMBL458123 0.71 HTR2A (0.34) HTR2AHRH1RETHTR2C
SCHEMBL4307808 0.71 HTR2A (0.34) HTR2AHRH1RETHTR2C

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 3 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
WO-2009136965-A1 COMPOSITIONS AND METHODS COMPRISING CAPURAMYCIN ANALOGUES SEQUELLA, INC. (US) 2009-11-12 WO disclosed