SCHEMBL5223559

SCHEMBL5223559

c1ccc(Cc2ccccc2N2CCN(Cc3c[nH]c4ncccc34)CC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 8/20 0.71
HTR7 P34969 8/20 0.71
HTR1A P08908 5/20 0.71
DRD4 P21917 8/20 0.70
HTR6 P50406 5/20 0.67
DRD3 P35462 6/20 0.66
DRD2 P14416 5/20 0.66
MET P08581 1/20 0.62
CYP1A2 P05177 2/20 0.60
CYP3A4 P08684 2/20 0.60
CYP2D6 P10635 2/20 0.60
TSHR P16473 2/20 0.60
NFKB1 P19838 2/20 0.60
HIF1A Q16665 2/20 0.60
MAPK1 P28482 2/20 0.60
THPO P40225 1/20 0.60
CACNA1F O60840 1/20 0.60
ADRA2A P08913 1/20 0.60
ALOX15 P16050 1/20 0.60
ADRA2B P18089 1/20 0.60

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
SCHEMBL5223566 0.86 DRD4 (0.83) HTR2AHTR7HTR1ADRD4HTR6
SCHEMBL8858004 0.85 HTR2A (0.76) HTR2AHTR7HTR1ADRD4HTR6
SCHEMBL8858021 0.85 DRD4 (0.77) HTR2AHTR7HTR1ADRD4HTR6
SCHEMBL5199185 0.84 HTR2A (0.76) HTR2AHTR7HTR1ADRD4HTR6
SCHEMBL5196558 0.83 HTR2A (1.00) HTR2AHTR7HTR1ADRD4HTR6
SCHEMBL5198686 0.83 DRD4 (1.00) HTR2AHTR7HTR1ADRD4HTR6
SCHEMBL5216806 0.82 HTR2A (0.79) HTR2AHTR7HTR1ADRD4HTR6
SCHEMBL5385173 0.81 HTR2A (0.72) HTR2AHTR7HTR1ADRD4HTR6
SCHEMBL5198291 0.80 HTR7 (0.71) HTR2AHTR7HTR1ADRD4HTR6
SCHEMBL5198681 0.80 HTR7 (1.00) HTR2AHTR7HTR1ADRD4HTR6

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-1815866-A1 REMEDY OR PREVENTIVE FOR ISCHEMIC CARDIAC DISEASE OR ISCHEMIC CARDIAC MYOPATHY Neugen Pharma, Inc (JP) 2007-08-08 EP disclosed