SCHEMBL2317855

SCHEMBL2317855

COc1cc(C)c(S(=O)(=O)N(C)CCOCC(=O)N(C)C2CCCN(OC(=O)OC(C)(C)C)C2)c(C)c1

nearest known ligand 0.61

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 20/20 0.61

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
SCHEMBL2317555 0.91 BDKRB1 (0.58) BDKRB1
SCHEMBL1180207 0.88 BDKRB1 (0.64) BDKRB1
SCHEMBL1179910 0.84 BDKRB1 (0.61) BDKRB1
SCHEMBL13939534 0.83 BDKRB1 (0.74) BDKRB1
SCHEMBL3439915 0.82 BDKRB1 (0.69) BDKRB1
SCHEMBL13943113 0.82 BDKRB1 (0.73) BDKRB1
SCHEMBL3448448 0.81 BDKRB1 (0.72) BDKRB1
SCHEMBL12867678 0.80 BDKRB1 (0.71) BDKRB1
SCHEMBL3440043 0.80 BDKRB1 (0.64) BDKRB1
SCHEMBL12010237 0.80 BDKRB1 (0.76) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2240458-B1 ARYL SULFONAMIDES AS EFFECTIVE ANALGESICS BOEHRINGER INGELHEIM INT (DE) 2011-08-03 EP disclosed
EP-2240458-A1 ARYL SULFONAMIDES AS EFFECTIVE ANALGESICS Boehringer Ingelheim International GmbH (DE) 2010-10-20 EP disclosed
WO-2009098051-A1 ARYL SULFONAMIDES AS EFFECTIVE ANALGESICS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-08-13 WO disclosed