SCHEMBL3440430

SCHEMBL3440430

COc1cc(C)c(S(=O)(=O)N(C)CCOCC(=O)N(C)Cc2ccc(CN3C(C)CCC[C@@H]3C)cc2)c(C)c1

nearest known ligand 0.63

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 20/20 0.63

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
SCHEMBL3442306 1.00 BDKRB1 (0.63) BDKRB1
SCHEMBL3439726 0.86 BDKRB1 (0.66) BDKRB1
SCHEMBL3440297 0.86 BDKRB1 (0.66) BDKRB1
SCHEMBL12010120 0.86 BDKRB1 (0.51) BDKRB1
SCHEMBL3440237 0.85 BDKRB1 (0.64) BDKRB1
SCHEMBL3439843 0.84 BDKRB1 (0.63) BDKRB1
SCHEMBL12010504 0.83 BDKRB1 (0.71) BDKRB1
SCHEMBL17189128 0.82 BDKRB1 (0.77) BDKRB1
SCHEMBL3439870 0.82 BDKRB1 (0.63) BDKRB1
SCHEMBL12010191 0.82 BDKRB1 (0.59) 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-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