SCHEMBL4436286

SCHEMBL4436286

O=C(O)c1cn(-c2ccc(C(F)(F)F)cc2)c(-c2ccccc2Cl)n1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.54
CNR1 P21554 15/20 0.52
CNR2 P34972 5/20 0.51
RXRA P19793 1/20 0.47
NR1H2 P55055 1/20 0.47
NR1H3 Q13133 1/20 0.47
HSD11B1 P28845 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 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
SCHEMBL27609617 0.88 CNR1 (0.65) PTGS2CNR1CNR2KMT2A
SCHEMBL6335073 0.87 CNR1 (0.64) CNR1CNR2
SCHEMBL27759611 0.86 CNR1 (0.55) PTGS2CNR1CNR2
SCHEMBL3592562 0.85 CNR1 (0.53) PTGS2CNR1CNR2KMT2AMEN1
SCHEMBL5080838 0.81 CNR1 (0.57) CNR1CNR2
SCHEMBL3679902 0.81 CNR1 (0.66) CNR1CNR2
SCHEMBL28750916 0.81 CNR1 (0.58) PTGS2CNR1CNR2RXRANR1H2
Hydrochloric Acid SCHEMBL6334805 0.80 CNR1 (0.56) CNR1CNR2
SCHEMBL6334708 0.80 CNR1 (0.52) CNR1CNR2
Hydrochloric Acid SCHEMBL6614269 0.80 CNR1 (0.57) PTGS2CNR1CNR2RXRANR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101431994-A Use of CBx cannabinoid receptor modulators as potassium channel modulators SOLVAY PHARM GMBH (DE) 2009-05-13 CN claimed
CN-101431998-A Containing CBxPharmaceutical compositions of cannabinoid receptor modulators and potassium channel modulators SOLVAY PHARM GMBH (DE) 2009-05-13 CN claimed
CN-101431998-A Containing CBxPharmaceutical compositions of cannabinoid receptor modulators and potassium channel modulators SOLVAY PHARM GMBH (DE) 2009-05-13 CN disclosed
CN-101431994-A Use of CBx cannabinoid receptor modulators as potassium channel modulators SOLVAY PHARM GMBH (DE) 2009-05-13 CN disclosed
EP-2026798-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING CBX CANNABINOID RECEPTOR MODULATORS AND POTASSIUM CHANNEL MODULATORS Solvay Pharmaceuticals GmbH (DE) 2009-02-25 EP disclosed
WO-2007125048-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING CBX CANNABINOID RECEPTOR MODULATORS AND POTASSIUM CHANNEL MODULATORS SOLVAY PHARMACEUTICALS GMBH (DE) 2007-11-08 WO disclosed