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SCHEMBL4018062

SCHEMBL4018062

CC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)C2CCCCC2)no1.CC(C)S(=O)(=O)C(C)(C)C(=O)Nc1nc(C(C)(C)C)cs1.Cc1nc(NC(=O)C(C)(C)S(=O)(=O)C(C)C)sc1C(C)(C)C.O=C(O)C1(S(=O)(=O)C2CCCCC2)CCC1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 6/20 0.33
▸ CNR1 P21554 4/20 0.33
▸ ATAD2 Q6PL18 1/20 0.32
▸ GAA P10253 1/20 0.31
▸ GCK P35557 1/20 0.30

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
SCHEMBL4017230 0.94 CNR2 (0.35) CNR2CNR1GAA
SCHEMBL4013326 0.86 CNR2 (0.44) CNR2CNR1ATAD2GAAGCK
SCHEMBL4012322 0.83 LMNA (0.33) GAA
SCHEMBL4017977 0.78 CNR2 (0.46) CNR2CNR1ATAD2GCK
SCHEMBL4015637 0.74 CNR1 (0.36) CNR2CNR1GAAGCK
SCHEMBL4011827 0.74 CNR2 (0.52) CNR2CNR1ATAD2GCK
SCHEMBL4010398 0.72 CNR2 (0.44) CNR2CNR1GAA
SCHEMBL4010397 0.72 CNR2 (0.43) CNR2CNR1GAA
SCHEMBL1620926 0.70 CNR2 (0.55) CNR2CNR1
SCHEMBL1620973 0.70 ATAD2 (0.60) CNR2ATAD2GCK

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