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SCHEMBL3962840

SCHEMBL3962840

CC(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2)on1.CC(Cc1nc(-c2ccccc2)cs1)(C(=O)NCC(C)(C(=O)Nc1cnc2ccccc2c1)S(=O)(=O)c1ccc(Cl)cc1F)S(=O)(=O)c1ccc(Cl)cc1F.CCC(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2)n(C)n1.CCC(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2)on1

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 8/20 0.42
▸ CNR1 P21554 5/20 0.42

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
SCHEMBL3962718 0.81 CNR2 (0.63) CNR2CNR1
SCHEMBL3963539 0.76 CNR2 (0.65) CNR2CNR1
SCHEMBL12095618 0.75 CNR2 (0.56) CNR2CNR1
SCHEMBL3961290 0.71 CNR2 (0.55) CNR2CNR1
SCHEMBL3963534 0.69 CNR2 (0.55) CNR2CNR1
SCHEMBL3960139 0.68 CNR2 (0.45) CNR2
SCHEMBL1464728 0.67 CNR2 (0.68) CNR2CNR1
SCHEMBL1464457 0.67 CNR2 (0.58) CNR2CNR1
SCHEMBL1464633 0.66 CNR2 (0.79) CNR2CNR1
SCHEMBL1464474 0.65 CNR2 (1.00) 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 disclosed
WO-2008014199-A2 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-01-31 — — WO disclosed