SCHEMBL3968152

SCHEMBL3968152

CC(C)(C(=O)Nc1ncc(C2CCOCC2)s1)S(=O)(=O)c1ccc(Cl)cc1.CC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)c2ccc(C#N)cc2F)no1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 16/20 0.53
CNR1 P21554 7/20 0.53
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPK14 Q16539 1/20 0.35
CYP2C8 P10632 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
BRAF P15056 1/20 0.34

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
SCHEMBL1876102 0.88 CNR2 (0.38) CNR2CNR1SMN1; SMN2LMNA
SCHEMBL1464477 0.80 CNR2 (0.54) CNR2CNR1SMN1; SMN2
SCHEMBL1463816 0.78 CNR2 (0.57) CNR2CNR1SMN1; SMN2MAPK14
SCHEMBL3963538 0.78 CNR2 (0.39) CNR2CNR1
SCHEMBL12095585 0.76 CNR2 (0.59) CNR2CNR1MAPK14
SCHEMBL1464614 0.73 CNR2 (0.73) CNR2CNR1SMN1; SMN2ALDH1A1LMNA
SCHEMBL3968895 0.73 CNR2 (0.67) CNR2CNR1
SCHEMBL1463932 0.73 CNR2 (0.72) CNR2CNR1SMN1; SMN2MAPK14CYP2C8
SCHEMBL469406 0.72 CNR2 (1.00) CNR2CNR1MAPK14CYP2C8CYP2C9
SCHEMBL3960778 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 disclosed
WO-2008014199-A2 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-01-31 WO disclosed