SCHEMBL3439939

SCHEMBL3439939

COc1cc(C)c(S(=O)(=O)N(C)CCOCC(=O)N(C)CC2CCCCC2)c(C)c1

nearest known ligand 0.60

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 20/20 0.60

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
SCHEMBL12916024 0.99 BDKRB1 (0.61) BDKRB1
SCHEMBL16675847 0.92 BDKRB1 (0.62) BDKRB1
SCHEMBL12010204 0.92 BDKRB1 (0.62) BDKRB1
SCHEMBL12010202 0.92 BDKRB1 (0.62) BDKRB1
SCHEMBL3439887 0.90 BDKRB1 (0.58) BDKRB1
SCHEMBL10118670 0.90 BDKRB1 (0.58) BDKRB1
SCHEMBL3439970 0.90 BDKRB1 (0.58) BDKRB1
SCHEMBL16675663 0.90 BDKRB1 (0.57) BDKRB1
SCHEMBL12010243 0.90 BDKRB1 (0.57) BDKRB1
SCHEMBL12010201 0.89 BDKRB1 (0.53) 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
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
EP-2025675-A1 Arylsulfonamides with analgetic activity Boehringer Ingelheim International GmbH (DE) 2009-02-18 EP disclosed
WO-2008022945-A1 ARYL SULFONAMIDES WITH AN ANALGESIC ACTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-28 WO disclosed