SCHEMBL5196478

SCHEMBL5196478

FC(F)(F)c1cc(Cl)nc(N2CCN(Cc3c[nH]c4ncccc34)CC2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 8/20 0.68
HTR7 P34969 8/20 0.68
HTR6 P50406 5/20 0.68
DRD4 P21917 8/20 0.60
DRD3 P35462 6/20 0.60
DRD2 P14416 5/20 0.60
HTR1A P08908 5/20 0.60
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
CACNA1F O60840 1/20 0.60
ADRA2A P08913 1/20 0.60
ALOX15 P16050 1/20 0.60
ADRA2B P18089 1/20 0.60
ADRA2C P18825 1/20 0.60
HTR2C P28335 1/20 0.60
ADRA1A P35348 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
SCHEMBL5196668 0.85 DRD2 (0.56) HTR2AHTR7HTR6DRD4DRD3
SCHEMBL5197670 0.83 HTR2A (0.76) HTR2AHTR7HTR6DRD4DRD3
SCHEMBL5197306 0.82 HTR2A (0.67) HTR2AHTR7HTR6DRD4DRD3
SCHEMBL5196333 0.81 HTR2A (1.00) HTR2AHTR7HTR6DRD4DRD3
SCHEMBL8328645 0.79 DRD4 (0.67) HTR2AHTR7HTR6DRD4DRD3
SCHEMBL5382639 0.78 DRD4 (0.76) HTR2AHTR7HTR6DRD4DRD3
SCHEMBL5198353 0.77 DRD4 (0.67) HTR2AHTR7HTR6DRD4DRD3
SCHEMBL5198398 0.77 DRD4 (0.74) HTR2AHTR7HTR6DRD4DRD3
SCHEMBL5198060 0.76 DRD4 (0.67) HTR2AHTR7HTR6DRD4DRD3
SCHEMBL5399421 0.76 DRD4 (1.00) HTR2AHTR7HTR6DRD4DRD3

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