SCHEMBL1250804

SCHEMBL1250804

CC(CS(=O)(=O)CC1CCOCC1)c1nnc(-c2cc(C(C)(C)C)no2)o1

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 18/20 0.42
CNR1 P21554 6/20 0.41
HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL1252395 0.85 CNR2 (0.41) CNR2CNR1
SCHEMBL1252399 0.82 CNR2 (0.38) CNR2CNR1
SCHEMBL351342 0.79 CNR2 (0.46) CNR2CNR1
SCHEMBL10147797 0.72 CNR2 (0.35) CNR2CNR1
SCHEMBL351301 0.71 CNR2 (0.46) CNR2CNR1
SCHEMBL352505 0.71 CNR2 (0.43) CNR2CNR1
SCHEMBL1253142 0.70 CNR2 (0.37) CNR2CNR1
SCHEMBL10147475 0.70 ALDH1A1 (0.33) CNR2HDAC6
SCHEMBL351388 0.68 CNR2 (0.44) CNR2CNR1
SCHEMBL350081 0.68 CNR2 (0.42) CNR2CNR1

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-2283001-A2 SULFONE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2011-02-16 EP claimed
WO-2009140089-A2 SULFONE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-11-19 WO claimed