SCHEMBL3969896

SCHEMBL3969896

CC(C)(C(=O)Nc1cccc(C(F)(F)F)n1)S(=O)(=O)c1ccc(F)cc1.Cn1nc(C(C)(C)C)cc1NC(=O)C(C)(C)S(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.61
GRM5 P41594 2/20 0.48
CNR1 P21554 5/20 0.46
MAPK14 Q16539 3/20 0.42
LMNA P02545 1/20 0.41
RORC P51449 1/20 0.40
ACVR1 Q04771 2/20 0.39
CLK4 Q9HAZ1 2/20 0.39
CDK8 P49336 1/20 0.39
CLK2 P49760 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
PHGDH O43175 1/20 0.39
NTRK1 P04629 1/20 0.38
MAPK13 O15264 1/20 0.38
MAPT P10636 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38

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
SCHEMBL3962721 0.94 CNR2 (0.62) CNR2GRM5CNR1MAPK14LMNA
SCHEMBL1464871 0.87 CNR2 (0.55) CNR2GRM5CNR1RORCACVR1
SCHEMBL1465546 0.87 CNR2 (0.78) CNR2CNR1MAPK14LMNAPHGDH
SCHEMBL3964008 0.85 CNR2 (0.46) CNR2GRM5CNR1RORCACVR1
SCHEMBL3966606 0.85 CNR2 (0.46) CNR2GRM5CNR1MAPK14RORC
SCHEMBL3965012 0.82 MAPT (0.50) CNR2GRM5CNR1LMNAPHGDH
SCHEMBL1463951 0.82 CNR2 (0.67) CNR2CNR1MAPK14LMNAMAPK13
SCHEMBL1464304 0.81 CNR2 (0.50) CNR2GRM5CNR1RORCACVR1
SCHEMBL1464598 0.81 CNR2 (0.78) CNR2MAPK14LMNANTRK1MAPK13
SCHEMBL3969890 0.80 CNR2 (0.47) CNR2CNR1MAPK14RORCPHGDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2081905-A2 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2009-07-29 EP claimed
WO-2008014199-A2 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-01-31 WO claimed
EP-2081905-A2 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2009-07-29 EP disclosed
WO-2008014199-A2 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-01-31 WO disclosed