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SCHEMBL3963538

SCHEMBL3963538

CC(C)(C(=O)Nc1ncc(C2CCOCC2)s1)S(=O)(=O)c1ccc(Cl)cc1.CC(C)(C)c1csc(NC(=O)C(C)(C)S(=O)(=O)c2ccc(C#N)cc2F)n1.Cc1ccc(S(=O)(=O)C(C)(C)C(=O)Nc2cc(C(C)(C)C)no2)cc1.Cc1ccc(S(=O)(=O)C(C)(C)C(=O)Nc2cc(C(C)(C)C)no2)cc1F.Cn1nc(C(C)(C)C)cc1NC(=O)C(C)(C)S(=O)(=O)c1ccc(C#N)cc1F

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 4/20 0.39
▸ CNR1 P21554 1/20 0.31
▸ GCK P35557 1/20 0.31

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
SCHEMBL1876102 0.86 CNR2 (0.38) CNR2CNR1GCK
SCHEMBL3968558 0.79 CNR2 (0.51) CNR2CNR1
SCHEMBL3968152 0.78 CNR2 (0.53) CNR2CNR1
SCHEMBL3960809 0.71 CNR2 (0.61) CNR2CNR1
SCHEMBL1464422 0.69 NPC1 (0.42) —
SCHEMBL1464477 0.69 CNR2 (0.54) CNR2CNR1
SCHEMBL1464659 0.69 CNR2 (0.58) CNR2
SCHEMBL1464688 0.66 CNR2 (0.69) CNR2CNR1
SCHEMBL1463876 0.65 CNR2 (0.55) CNR2CNR1
SCHEMBL3963574 0.65 CNR2 (0.57) CNR2

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-2081905-A2 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2009-07-29 — — EP claimed
WO-2008014199-A2 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-01-31 — — WO claimed