SCHEMBL3963516

SCHEMBL3963516

CC(C)(C(=O)Nc1ccc(C(F)(F)F)cn1)S(=O)(=O)c1cccc(F)c1.Cn1nc(C(C)(C)C)cc1NC(=O)C(C)(C)S(=O)(=O)c1cccc(F)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.52
CNR1 P21554 4/20 0.46
L3MBTL1 Q9Y468 1/20 0.41
MAPK14 Q16539 3/20 0.39
NPY5R Q15761 1/20 0.39
LMNA P02545 1/20 0.39
ABCC9 O60706 1/20 0.38
ABCC8 Q09428 1/20 0.38
KCNJ11 Q14654 1/20 0.38
KCNJ8 Q15842 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SCN5A Q14524 1/20 0.37
SCN9A Q15858 1/20 0.37

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
SCHEMBL1464882 0.89 CNR2 (0.53) CNR2CNR1L3MBTL1NPY5RABCC9
SCHEMBL3968663 0.89 CNR2 (0.53) CNR2CNR1L3MBTL1LMNANPC1
SCHEMBL1463951 0.87 CNR2 (0.67) CNR2CNR1MAPK14LMNAABCC9
SCHEMBL3963553 0.84 CNR2 (0.50) CNR2CNR1L3MBTL1MAPK14NPY5R
SCHEMBL3966606 0.84 CNR2 (0.46) CNR2CNR1L3MBTL1MAPK14
SCHEMBL3964403 0.83 CNR2 (0.51) CNR2CNR1L3MBTL1MAPK14NPY5R
SCHEMBL3964008 0.82 CNR2 (0.46) CNR2CNR1L3MBTL1
SCHEMBL3963551 0.81 CNR2 (0.47) CNR2CNR1NPY5RABCC9ABCC8
SCHEMBL3969890 0.81 CNR2 (0.47) CNR2CNR1L3MBTL1MAPK14ABCC9
SCHEMBL3959830 0.80 CNR2 (0.47) CNR2CNR1SCN9A

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