SCHEMBL3027288

SCHEMBL3027288

Cc1nc(-c2c(Cl)cc(Cl)cc2-c2cnc(CNC(=O)OC(C)(C)C)c(F)c2)no1

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
SCHEMBL13213936 0.85 BDKRB1 (0.67) BDKRB1
SCHEMBL3020773 0.83 BDKRB1 (0.72) BDKRB1
SCHEMBL3025187 0.81 BDKRB1 (0.81) BDKRB1
SCHEMBL3027999 0.79 BDKRB1 (0.57) BDKRB1
SCHEMBL3259155 0.79 BDKRB1 (0.51) BDKRB1
SCHEMBL13213898 0.78 BDKRB1 (0.68) BDKRB1
SCHEMBL13213933 0.78 BDKRB1 (0.66) BDKRB1
SCHEMBL13213748 0.77 BDKRB1 (0.73) BDKRB1
SCHEMBL13213870 0.77 BDKRB1 (0.70) BDKRB1
SCHEMBL2942732 0.75 BDKRB1 (0.75) 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