SCHEMBL7924922

SCHEMBL7924922

NC1(CO)CCc2cccc(OS(=O)(=O)C(F)(F)F)c2C1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 12/20 0.46
DRD3 P35462 9/20 0.46
HTR1D P28221 2/20 0.46
DRD4 P21917 6/20 0.41
DRD1 P21728 4/20 0.41
DRD5 P21918 4/20 0.41
HTR5A P47898 1/20 0.39
S1PR1 P21453 2/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL7910926 0.77 ADRA2A (0.49) DRD2DRD3DRD1DRD5S1PR1
SCHEMBL7930810 0.76 DRD2 (0.46) DRD2DRD3HTR1DDRD4DRD1
SCHEMBL30042062 0.75 DRD2 (0.55) DRD2DRD3HTR1DDRD4DRD1
SCHEMBL1820878 0.73 DRD2 (0.53) DRD2DRD3HTR1DDRD4DRD1
SCHEMBL3113928 0.73 DRD2 (0.53) DRD2DRD3HTR1DDRD4DRD1
SCHEMBL11960176 0.73 DRD2 (0.48) DRD2DRD3HTR1DDRD4DRD1
SCHEMBL17747376 0.72 DRD2 (0.44) DRD2DRD3HTR1DDRD4DRD1
SCHEMBL8648724 0.70 ADRA2A (0.47) S1PR1KCNH2
SCHEMBL7917428 0.70 HTR1A (0.38) S1PR1KCNH2
SCHEMBL2589591 0.70 DRD2 (0.50) DRD2DRD3HTR1DDRD4DRD1

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
WO-2010042473-A1 BIARYL SPIROAMINOOXAZOLINE ANALOGUES AS ALPHA2C ADRENERGIC RECEPTOR MODULATORS SCHERING CORPORATION (US) 2010-04-15 WO disclosed