SCHEMBL4011997

SCHEMBL4011997

CC(C)(C(=O)Nc1nc(C2CCCCC2)cs1)S(=O)(=O)CC1CCOCC1.CCCc1cc(NC(=O)C(C)(C)S(=O)(=O)CC2CCOCC2)on1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 11/20 0.53
CNR1 P21554 6/20 0.53
GCK P35557 7/20 0.42
TMIGD3 P0DMS9 1/20 0.41
ADORA1 P30542 1/20 0.41
RORC P51449 1/20 0.41

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
SCHEMBL1619549 0.88 TMIGD3 (0.53) CNR2CNR1GCKTMIGD3ADORA1
SCHEMBL4012682 0.87 CNR2 (0.42) CNR2CNR1GCKTMIGD3ADORA1
SCHEMBL1620900 0.85 CNR2 (0.70) CNR2CNR1
SCHEMBL1620978 0.83 ADORA1 (0.59) CNR2CNR1GCKTMIGD3ADORA1
SCHEMBL3963813 0.82 RORC (0.46) CNR2CNR1GCKTMIGD3ADORA1
SCHEMBL1621586 0.76 ADORA1 (0.58) GCKTMIGD3ADORA1RORC
SCHEMBL1621427 0.75 CNR2 (0.71) CNR2CNR1
SCHEMBL775578 0.74 GCK (0.56) CNR2CNR1GCK
SCHEMBL4017269 0.73 CNR2 (0.50) CNR2CNR1GCK
SCHEMBL1621911 0.73 CNR2 (0.54) CNR2CNR1GCKTMIGD3ADORA1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2074084-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2009-07-01 EP claimed
WO-2008039645-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-04-03 WO claimed
EP-2074084-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2009-07-01 EP disclosed
WO-2008039645-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-04-03 WO disclosed