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SCHEMBL3966458

SCHEMBL3966458

CC(C)(C(=O)Nc1nc(-c2ccccc2)co1)S(=O)(=O)c1ccc(Cl)cc1.Cc1sc(NC(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2)nc1C(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 13/20 0.49
▸ CNR1 P21554 5/20 0.49
▸ HSD11B1 P28845 3/20 0.42
▸ RORC P51449 1/20 0.35
▸ SMO Q99835 2/20 0.35
▸ POLB P06746 1/20 0.35

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
SCHEMBL1463796 0.88 CNR2 (0.52) CNR2CNR1HSD11B1RORCSMO
SCHEMBL1465137 0.85 CNR2 (0.58) CNR2CNR1RORCPOLB
SCHEMBL3967901 0.84 FFAR2 (0.49) CNR2CNR1HSD11B1
SCHEMBL1465040 0.81 HSD11B1 (0.55) CNR2CNR1HSD11B1SMO
SCHEMBL1465768 0.79 CNR2 (0.59) CNR2CNR1RORCPOLB
SCHEMBL3963986 0.78 CNR2 (0.43) CNR2CNR1HSD11B1
SCHEMBL3963850 0.77 RORC (0.41) CNR2CNR1HSD11B1RORC
SCHEMBL1465201 0.75 CNR2 (0.60) CNR2CNR1POLB
SCHEMBL1463777 0.75 CNR2 (0.58) CNR2CNR1RORC
SCHEMBL1464341 0.74 ALDH1A1 (0.58) CNR2CNR1RORCPOLB

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 disclosed
WO-2008014199-A2 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-01-31 — — WO disclosed