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SCHEMBL3967412

SCHEMBL3967412

CC(C)(C(=O)Nc1nc(-c2ccccc2)co1)S(=O)(=O)c1ccc(Cl)cc1.Cn1nc(-c2ccccc2)cc1NC(=O)C(C)(C)S(=O)(=O)c1ccc(Cl)cc1F

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 10/20 0.51
▸ CNR1 P21554 4/20 0.42
▸ MAPT P10636 5/20 0.42
▸ RAB9A P51151 1/20 0.40
▸ XBP1 P17861 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ PHGDH O43175 1/20 0.37

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
SCHEMBL1464312 0.87 CNR2 (0.52) CNR2MAPTRAB9AXBP1NPSR1
SCHEMBL1463796 0.83 CNR2 (0.52) CNR2CNR1
SCHEMBL1464658 0.83 CNR2 (0.71) CNR2CNR1MAPTXBP1NPSR1
SCHEMBL1464381 0.78 MAPT (0.55) CNR2MAPTRAB9AXBP1NPSR1
SCHEMBL1464708 0.77 CNR2 (0.58) CNR2MAPTRAB9AXBP1NPSR1
SCHEMBL1465040 0.77 HSD11B1 (0.55) CNR2CNR1
SCHEMBL3964897 0.76 CNR2 (0.59) CNR2CNR1MAPTXBP1NPSR1
SCHEMBL1464791 0.75 MAPT (0.63) CNR2MAPTRAB9AXBP1NPSR1
SCHEMBL1463920 0.75 CNR2 (0.56) CNR2MAPTRAB9AXBP1NPSR1
SCHEMBL1463606 0.74 CNR2 (0.74) CNR2CNR1MAPT

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