SCHEMBL4011827

SCHEMBL4011827

CC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)C2CCOCC2)no1.CC(C)(C)c1csc(NC(=O)C(C)(C)S(=O)(=O)C2CCOCC2)n1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 16/20 0.52
CNR1 P21554 8/20 0.48
GCK P35557 1/20 0.45
ATAD2 Q6PL18 1/20 0.43
NPC1 O15118 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
EGFR P00533 1/20 0.40

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
SCHEMBL1620080 0.89 CNR2 (0.54) CNR2CNR1GCKATAD2NPC1
SCHEMBL4013140 0.88 CNR2 (0.54) CNR2CNR1GCKATAD2NPC1
SCHEMBL774988 0.87 CNR2 (0.62) CNR2CNR1NPC1SMN1; SMN2EGFR
SCHEMBL4013326 0.86 CNR2 (0.44) CNR2CNR1GCKATAD2NPC1
SCHEMBL1620892 0.83 CNR2 (0.58) CNR2CNR1NPC1SMN1; SMN2EGFR
SCHEMBL4010320 0.80 CTPS1 (0.49) CNR2CNR1GCKATAD2NPC1
SCHEMBL1620973 0.80 ATAD2 (0.60) CNR2GCKATAD2NPC1SMN1; SMN2
SCHEMBL10217374 0.80 CNR2 (0.64) CNR2CNR1GCKATAD2
SCHEMBL1620543 0.79 CNR2 (0.56) CNR2CNR1NPC1SMN1; SMN2EGFR
SCHEMBL1620926 0.78 CNR2 (0.55) CNR2CNR1NPC1SMN1; SMN2EGFR

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