SCHEMBL469435

SCHEMBL469435

CC(C)(CN)S(=O)(=O)CC1CCOCC1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.38
CNR1 P21554 2/20 0.38
AOC2 O75106 2/20 0.32
MAOA P21397 1/20 0.32

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
SCHEMBL469278 0.84 CNR2 (0.38) CNR2CNR1
SCHEMBL10147821 0.81 CNR2 (0.40) CNR2CNR1
SCHEMBL10146087 0.78 CNR2 (0.39) CNR2CNR1
SCHEMBL18638816 0.78 CNR2 (0.39) CNR2CNR1
SCHEMBL12289489 0.76 CNR2 (0.46) CNR2CNR1AOC2MAOA
SCHEMBL13413804 0.75 CNR2 (0.40) CNR2CNR1
SCHEMBL10177092 0.75 CNR2 (0.43) CNR2CNR1AOC2MAOA
SCHEMBL10098834 0.74 CNR2 (0.35) CNR2CNR1
SCHEMBL766752 0.74 CNR2 (0.47) CNR2CNR1
SCHEMBL13448691 0.74 CNR2 (0.32) CNR2CNR1AOC2MAOA

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
WO-2012012307-A9 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-15 WO disclosed
WO-2012012307-A1 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-26 WO disclosed