SCHEMBL3962984

SCHEMBL3962984

CC(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2)n(C)n1.CCc1c(C)noc1NC(=O)C(C)(C)S(=O)(=O)c1ccc(Cl)cc1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 15/20 0.58
CNR1 P21554 6/20 0.46
MAPK13 O15264 1/20 0.37
MAPT P10636 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37
MAPK14 Q16539 1/20 0.37
EDNRB P24530 2/20 0.35
EDNRA P25101 2/20 0.35
S1PR1 P21453 1/20 0.35

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
SCHEMBL1466012 0.87 CNR2 (0.60) CNR2CNR1EDNRBEDNRA
SCHEMBL1465811 0.85 CNR2 (0.75) CNR2CNR1MAPK13MAPTMAPK12
SCHEMBL12095618 0.81 CNR2 (0.56) CNR2CNR1MAPK13MAPTMAPK12
SCHEMBL1464728 0.80 CNR2 (0.68) CNR2CNR1MAPK13MAPTMAPK12
SCHEMBL1464570 0.75 CNR2 (0.65) CNR2CNR1MAPTEDNRBEDNRA
SCHEMBL469410 0.75 CNR2 (1.00) CNR2CNR1MAPK13MAPTMAPK12
SCHEMBL1465183 0.75 CNR2 (0.78) CNR2CNR1MAPK13MAPTMAPK12
SCHEMBL1464908 0.73 CNR2 (0.63) CNR2CNR1MAPK14
SCHEMBL3960202 0.71 CNR2 (0.47) CNR2CNR1MAPK14
SCHEMBL3963534 0.71 CNR2 (0.55) CNR2CNR1MAPK14

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 claimed
WO-2008014199-A2 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-01-31 WO claimed