SCHEMBL2976295

SCHEMBL2976295

O=S(=O)(Nc1ccc([C@]23CNC[C@H]2C3)cc1)c1ccc(C(F)(F)F)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 11/20 1.00
DRD3 P35462 11/20 1.00
DRD2 P14416 9/20 0.75
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
MAPT P10636 1/20 0.45
MEN1 O00255 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
MOGAT2 Q3SYC2 1/20 0.43

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
SCHEMBL13201893 1.00 KCNH2 (1.00) KCNH2DRD3DRD2MMP2MMP9
SCHEMBL13219171 1.00 KCNH2 (1.00) KCNH2DRD3DRD2MMP2MMP9
SCHEMBL13201900 0.86 DRD3 (1.00) KCNH2DRD3DRD2MAPT
SCHEMBL13219174 0.86 DRD3 (1.00) KCNH2DRD3DRD2MAPT
SCHEMBL13219278 0.85 KCNH2 (1.00) KCNH2DRD3DRD2SLC6A2SLC6A4
SCHEMBL13201899 0.85 KCNH2 (1.00) KCNH2DRD3DRD2SLC6A2SLC6A4
SCHEMBL13201895 0.85 KCNH2 (0.73) KCNH2DRD3DRD2SLC6A2SLC6A4
SCHEMBL13219296 0.85 KCNH2 (0.73) KCNH2DRD3DRD2SLC6A2SLC6A4
SCHEMBL2819451 0.83 KCNH2 (0.68) KCNH2DRD3DRD2SLC6A2SLC6A4
SCHEMBL378080 0.83 KCNH2 (0.68) KCNH2DRD3DRD2SLC6A2SLC6A4

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
US-7776904-B2 Azabicyclo [3.1.0] hexylphenyl derivatives as modulators of dopamine D3 receptors GLAXO GROUP LIMITED (GB) 2010-08-17 US claimed