SCHEMBL3440489

SCHEMBL3440489

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

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 19/20 0.69
MAPT P10636 1/20 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
SCHEMBL12010152 1.00 BDKRB1 (0.69) BDKRB1MAPT
SCHEMBL12010157 1.00 BDKRB1 (0.69) BDKRB1MAPT
SCHEMBL3440438 0.93 BDKRB1 (0.72) BDKRB1MAPT
SCHEMBL12010156 0.93 BDKRB1 (0.72) BDKRB1MAPT
SCHEMBL3440462 0.93 BDKRB1 (0.72) BDKRB1MAPT
SCHEMBL12010151 0.93 BDKRB1 (0.72) BDKRB1MAPT
SCHEMBL10118774 0.90 BDKRB1 (0.69) BDKRB1MAPT
SCHEMBL3440225 0.90 BDKRB1 (0.69) BDKRB1
SCHEMBL12010135 0.90 BDKRB1 (0.69) BDKRB1
SCHEMBL3440433 0.90 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 1 patent. 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