SCHEMBL3963553

SCHEMBL3963553

Cc1ccc(S(=O)(=O)C(C)(C)C(=O)Nc2cc(C(C)(C)C)nn2C)c(F)c1.Cc1ccc(S(=O)(=O)C(C)(C)C(=O)Nc2ccc(C(F)(F)F)cn2)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.50
CNR1 P21554 4/20 0.48
NPY5R Q15761 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPK14 Q16539 5/20 0.38
SCN9A Q15858 2/20 0.38
GAA P10253 1/20 0.38
LMNA P02545 1/20 0.37
SCN5A Q14524 1/20 0.37
MAPK13 O15264 2/20 0.37
HCRTR1 O43613 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL3969040 0.93 CNR2 (0.61) CNR2CNR1GAA
SCHEMBL1464787 0.89 CNR2 (0.55) CNR2CNR1NPY5RL3MBTL1SCN9A
SCHEMBL1464022 0.87 CNR2 (0.64) CNR2MAPK14LMNAMAPK13
SCHEMBL3963516 0.84 CNR2 (0.52) CNR2CNR1NPY5RL3MBTL1MAPK14
SCHEMBL3964403 0.83 CNR2 (0.51) CNR2CNR1NPY5RL3MBTL1MAPK14
SCHEMBL3967896 0.81 CNR2 (0.53) CNR2CNR1MAPK14GAALMNA
SCHEMBL1464553 0.80 CNR2 (0.56) CNR2CNR1NPY5RGAA
SCHEMBL3968663 0.79 CNR2 (0.53) CNR2CNR1L3MBTL1SCN9ALMNA
SCHEMBL1465446 0.79 CNR2 (0.64) CNR2MAPK14LMNAMAPK13
SCHEMBL1464325 0.79 CNR2 (0.54) CNR2CNR1NPY5R

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-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