SCHEMBL6462018

SCHEMBL6462018

CCOC(=O)C1C2COc3cc(C#N)ccc3C21

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.38
DRD3 P35462 5/20 0.38
CNR2 P34972 1/20 0.38
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
BCL2 P10415 1/20 0.36
HCRTR2 O43614 1/20 0.36
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
FFAR1 O14842 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.35
HSD11B1 P28845 1/20 0.35

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
SCHEMBL1477687 1.00 DRD2 (0.38) DRD2DRD3CNR2FNTAFNTB
SCHEMBL6462021 1.00 DRD2 (0.38) DRD2DRD3CNR2FNTAFNTB
SCHEMBL12749149 1.00 DRD2 (0.38) DRD2DRD3CNR2FNTAFNTB
SCHEMBL6082046 0.86 GABRA1 (0.39)
SCHEMBL12749150 0.86 GABRA1 (0.39)
SCHEMBL5971716 0.86 GABRA1 (0.39)
SCHEMBL5971717 0.86 GABRA1 (0.39)
SCHEMBL1477406 0.86 GABRA1 (0.39)
SCHEMBL12657335 0.83 SMN1; SMN2 (0.38)
SCHEMBL6080705 0.82 DRD2 (0.43) DRD2DRD3HCRTR2FFAR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1534276-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MEDIVIR AB (SE) 2005-06-01 EP disclosed
WO-2004021969-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MEDIVIR AB (SE) 2004-03-18 WO disclosed