SCHEMBL3962899

SCHEMBL3962899

Cc1ccc(S(=O)(=O)C(C)(C)C(=O)Nc2cc(C(C)(C)C)on2)cn1.Cc1ccc(S(=O)(=O)C(C)(C)C(=O)Nc2ccc(C(F)(F)F)cn2)cn1.Cc1ccc(S(=O)(=O)C(C)(C)C(=O)Nc2cccc(C(F)(F)F)n2)cn1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 14/20 0.62
CNR1 P21554 10/20 0.62
GAA P10253 2/20 0.42
RORC P51449 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
NPY5R Q15761 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP2C8 P10632 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 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
SCHEMBL3961143 0.91 GAA (0.50) CNR2CNR1GAARORCABCC9
SCHEMBL4066158 0.86 CNR2 (0.49) CNR2CNR1L3MBTL1CYP2C8CYP2D6
SCHEMBL1465215 0.84 CNR2 (0.46) CNR2CNR1RORCABCC9ABCC8
SCHEMBL1466231 0.83 CNR2 (0.53) CNR2CNR1GAAABCC9ABCC8
SCHEMBL1464890 0.83 CNR2 (0.70) CNR2CNR1GAA
SCHEMBL3962726 0.81 CNR2 (0.53) CNR2CNR1GAARORCABCC9
SCHEMBL1463633 0.80 CNR2 (0.76) CNR2CNR1GAA
SCHEMBL3967859 0.79 CNR2 (0.62) CNR2CNR1ABCC9ABCC8KCNJ11
SCHEMBL1463732 0.78 CNR2 (1.00) CNR2CNR1GAACYP2C8CYP2D6
SCHEMBL1463528 0.77 CNR2 (0.78) CNR2CNR1GAACYP2C8CYP2D6

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