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Sugi Predict / Compounds / SCHEMBL3963530

SCHEMBL3963530

SCHEMBL3963530

CC(C)(C)Cc1cc(N(CCC(N)=O)C(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2)on1.CCCc1cc(NC(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2)on1.Cc1c(-c2ccccc2)nn(C)c1NC(=O)C(C)(C)S(=O)(=O)c1ccc(Cl)cc1.Cc1c(-c2ccccc2)noc1NC(=O)C(C)(C)S(=O)(=O)c1ccc(Cl)cc1.Cc1noc(NC(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2)c1-c1ccccc1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 2/20 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
SCHEMBL3960202 0.75 CNR2 (0.47) CNR2
SCHEMBL3961824 0.73 HTT (0.32) CNR2
SCHEMBL4078959 0.73 ALDH1A1 (0.39) CNR2
SCHEMBL1465091 0.72 CNR2 (0.41) CNR2
SCHEMBL1464589 0.68 CNR2 (0.58) CNR2
SCHEMBL1464563 0.68 CNR2 (0.58) CNR2
SCHEMBL1464703 0.68 CNR2 (0.57) CNR2
SCHEMBL1465876 0.67 CNR2 (0.59) CNR2
SCHEMBL12095559 0.66 CNR2 (0.60) CNR2
SCHEMBL12095626 0.64 MAPK14 (0.45) 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