SCHEMBL13943113

SCHEMBL13943113

COc1cc(C)c(S(=O)(=O)N(C)CCOCC(=O)N(C)C2CCCC2)c(C)c1

nearest known ligand 0.73

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 20/20 0.73

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
SCHEMBL3448448 0.99 BDKRB1 (0.72) BDKRB1
SCHEMBL13939534 0.99 BDKRB1 (0.74) BDKRB1
SCHEMBL12794314 0.91 BDKRB1 (0.73) BDKRB1
SCHEMBL1179975 0.90 BDKRB1 (0.67) BDKRB1
SCHEMBL15372728 0.88 BDKRB1 (0.75) BDKRB1
SCHEMBL12010320 0.88 BDKRB1 (0.62) BDKRB1
SCHEMBL12916029 0.88 BDKRB1 (0.62) BDKRB1
SCHEMBL3440541 0.88 BDKRB1 (0.75) BDKRB1
SCHEMBL12730927 0.88 BDKRB1 (0.77) BDKRB1
SCHEMBL12010306 0.88 BDKRB1 (0.62) 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
WO-2009021944-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-19 WO disclosed