SCHEMBL3454338

SCHEMBL3454338

COc1cc(C)c(S(=O)(=O)N2CCCCC2COCC(=O)N2CCc3nc(CN4CCCCC4)sc3C2)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 18/20 0.38

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
SCHEMBL3454336 1.00 BDKRB1 (0.38) BDKRB1
SCHEMBL3453940 0.88 BDKRB1 (0.36) BDKRB1
SCHEMBL4353058 0.85 NPC1 (0.42) BDKRB1
SCHEMBL4339289 0.84 BDKRB1 (0.40) BDKRB1
SCHEMBL4345249 0.83 BDKRB1 (0.40) BDKRB1
SCHEMBL4345244 0.83 BDKRB1 (0.40) BDKRB1
SCHEMBL4345656 0.83 BDKRB1 (0.40) BDKRB1
SCHEMBL4344989 0.80 BDKRB1 (0.45) BDKRB1
SCHEMBL4348366 0.80 BDKRB1 (0.38) BDKRB1
SCHEMBL4348149 0.80 BDKRB1 (0.43) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2260043-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal Gmbh (DE) 2010-12-15 EP disclosed
WO-2009124746-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-10-15 WO disclosed