SCHEMBL4649698

SCHEMBL4649698

FC(F)(F)c1ccccc1-c1ccc(CCN2CCOC(c3ccccc3)C2)cc1

nearest known ligand 0.80

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 11/20 0.80
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
EPHX2 P34913 1/20 0.41
SLC13A5 Q86YT5 1/20 0.40
S1PR1 P21453 1/20 0.40
S1PR3 Q99500 1/20 0.40
MOGAT2 Q3SYC2 1/20 0.40
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
DRD3 P35462 2/20 0.39

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
SCHEMBL4465145 0.89 CNR2 (1.00) CNR2MOGAT2
SCHEMBL4465139 0.89 CNR2 (1.00) CNR2MOGAT2
SCHEMBL9523708 0.81 CNR2 (0.58) CNR2MEN1KMT2ADRD3
SCHEMBL4473154 0.80 CNR2 (0.79) CNR2MOGAT2
SCHEMBL4649659 0.78 CNR2 (0.55) CNR2MEN1KMT2AMOGAT2DRD3
SCHEMBL4467525 0.78 CNR2 (0.72) CNR2MEN1KMT2AMOGAT2
SCHEMBL4481553 0.76 CNR2 (0.73) CNR2MOGAT2
SCHEMBL4481560 0.76 CNR2 (0.73) CNR2MOGAT2
SCHEMBL4473004 0.76 CNR2 (0.72) CNR2MOGAT2
SCHEMBL2290559 0.76 MEN1 (0.58) CNR2MEN1KMT2AMOGAT2DRD3

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-1966132-A2 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-09-10 EP disclosed
WO-2007070760-A2 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-21 WO disclosed