SCHEMBL5196855

SCHEMBL5196855

COc1cc(Cl)ccc1N1CCN(Cc2c[nH]c3ncccc23)CC1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 8/20 0.76
HTR2A P28223 8/20 0.76
HTR1A P08908 5/20 0.76
HTR6 P50406 5/20 0.76
DRD4 P21917 7/20 0.66
DRD3 P35462 5/20 0.66
DRD2 P14416 4/20 0.66
CYP1A2 P05177 2/20 0.66
CYP3A4 P08684 2/20 0.66
CYP2D6 P10635 2/20 0.66
TSHR P16473 2/20 0.66
NFKB1 P19838 2/20 0.66
HIF1A Q16665 2/20 0.66
CACNA1F O60840 1/20 0.66
ADRA2A P08913 1/20 0.66
ALOX15 P16050 1/20 0.66
ADRA2B P18089 1/20 0.66
ADRA2C P18825 1/20 0.66
HTR2C P28335 1/20 0.66
ADRA1A P35348 1/20 0.66

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
SCHEMBL5196686 0.88 HTR7 (0.73) HTR7HTR2AHTR1AHTR6DRD4
SCHEMBL5198359 0.87 DRD4 (0.70) HTR7HTR2AHTR1AHTR6DRD4
SCHEMBL5198681 0.87 HTR7 (1.00) HTR7HTR2AHTR1AHTR6DRD4
SCHEMBL5199038 0.85 HTR2A (0.75) HTR7HTR2AHTR1AHTR6DRD4
SCHEMBL5199125 0.82 DRD4 (0.71) HTR7HTR2AHTR1AHTR6DRD4
L-745870 SCHEMBL1059886 0.80 DRD4 (1.00) HTR7HTR2AHTR1AHTR6DRD4
L-745870 SCHEMBL29496328 0.80 DRD4 (1.00) HTR7HTR2AHTR1AHTR6DRD4
L-745870 SCHEMBL29692927 0.79 DRD4 (1.00) HTR7HTR2AHTR1AHTR6DRD4
L-745870 SCHEMBL2031550 0.79 DRD4 (1.00) HTR7HTR2AHTR1AHTR6DRD4
SCHEMBL5197199 0.79 DRD4 (0.82) HTR7HTR2AHTR1AHTR6DRD4

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