SCHEMBL3259155

SCHEMBL3259155

CC(C)(C)OC(=O)NCc1ncc(-c2cc(Cl)cc(Cl)c2OCC(F)F)cc1F

nearest known ligand 0.51

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 20/20 0.51

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
SCHEMBL3267818 0.86 BDKRB1 (0.52) BDKRB1
SCHEMBL13214176 0.83 BDKRB1 (0.51) BDKRB1
SCHEMBL13213868 0.82 BDKRB1 (0.57) BDKRB1
Hydrochloric Acid SCHEMBL2950653 0.81 BDKRB1 (0.55) BDKRB1
SCHEMBL2946582 0.80 BDKRB1 (0.60) BDKRB1
SCHEMBL12476131 0.80 BDKRB1 (0.51) BDKRB1
SCHEMBL12476538 0.80 BDKRB1 (0.49) BDKRB1
SCHEMBL3027288 0.79 BDKRB1 (0.63) BDKRB1
SCHEMBL13213864 0.79 BDKRB1 (0.49) BDKRB1
SCHEMBL9947709 0.79 BDKRB1 (0.66) 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-2396301-A2 SMALL MOLECULE BRADYKININ B1 RECEPTOR ANTAGONISTS Jerini AG (DE) 2011-12-21 EP disclosed
WO-2010091876-A2 SMALL MOLECULE BRADYKININ B1 RECEPTOR ANTAGONISTS JERINI AG (DE) 2010-08-19 WO disclosed