SCHEMBL3440460

SCHEMBL3440460

COc1cc(C)c(S(=O)(=O)N(C)CCC(=O)NC2CCC(N3CCC(CCN4CCC4)CC3)CC2)c(C)c1

nearest known ligand 0.72

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 20/20 0.72

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
SCHEMBL3440173 1.00 BDKRB1 (0.72) BDKRB1
SCHEMBL12012141 1.00 BDKRB1 (0.72) BDKRB1
SCHEMBL3444446 0.98 BDKRB1 (0.72) BDKRB1
SCHEMBL3444374 0.98 BDKRB1 (0.72) BDKRB1
SCHEMBL13934936 0.94 BDKRB1 (0.75) BDKRB1
SCHEMBL12012094 0.94 BDKRB1 (0.75) BDKRB1
SCHEMBL3440012 0.94 BDKRB1 (0.75) BDKRB1
SCHEMBL3444726 0.92 BDKRB1 (0.69) BDKRB1
SCHEMBL12010144 0.92 BDKRB1 (0.69) BDKRB1
SCHEMBL3440546 0.92 BDKRB1 (0.69) BDKRB1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2402329-A1 Analgetic phenylsulphonamides Boehringer Ingelheim International GmbH (DE) 2012-01-04 EP disclosed
EP-2284166-A1 Arylsulfonamides with analgetic activity Boehringer Ingelheim International GmbH (DE) 2011-02-16 EP disclosed
WO-2009021758-A1 ARYLSULFONAMIDES HAVING AN ANALGESIC EFFECT BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-19 WO disclosed
WO-2009021946-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-19 WO disclosed
WO-2008022945-A1 ARYL SULFONAMIDES WITH AN ANALGESIC ACTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-28 WO disclosed