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SCHEMBL3969040

SCHEMBL3969040

Cc1ccc(S(=O)(=O)C(C)(C)C(=O)Nc2cc(C(C)(C)C)nn2C)c(F)c1.Cc1ccc(S(=O)(=O)C(C)(C)C(=O)Nc2cc(C(C)(C)C)on2)c(F)c1.Cc1ccc(S(=O)(=O)C(C)(C)C(=O)Nc2ccc(C(F)(F)F)cn2)c(F)c1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 18/20 0.61
▸ CNR1 P21554 11/20 0.61
▸ GAA P10253 1/20 0.39
▸ CYP2C8 P10632 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ CSF1R P07333 1/20 0.35
▸ FLT3 P36888 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
SCHEMBL3963553 0.93 CNR2 (0.50) CNR2CNR1GAA
SCHEMBL3967896 0.91 CNR2 (0.53) CNR2CNR1GAACSF1RFLT3
SCHEMBL3968663 0.87 CNR2 (0.53) CNR2CNR1
SCHEMBL1464787 0.83 CNR2 (0.55) CNR2CNR1GAA
SCHEMBL1464880 0.81 CNR2 (0.61) CNR2CNR1GAACSF1RFLT3
SCHEMBL1464022 0.81 CNR2 (0.64) CNR2
SCHEMBL3968895 0.80 CNR2 (0.67) CNR2CNR1
SCHEMBL3963516 0.79 CNR2 (0.52) CNR2CNR1
SCHEMBL3964403 0.77 CNR2 (0.51) CNR2CNR1GAA
SCHEMBL3967859 0.77 CNR2 (0.62) CNR2CNR1

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