SCHEMBL3020773

SCHEMBL3020773

CCN(NC(=O)OC(C)(C)C)C(=O)NCc1ncc(-c2cc(Cl)cc(F)c2-c2noc(C)n2)cc1F

nearest known ligand 0.72

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 20/20 0.72

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
SCHEMBL3032919 0.90 BDKRB1 (0.77) BDKRB1
SCHEMBL3020770 0.85 BDKRB1 (0.55) BDKRB1
SCHEMBL2951247 0.84 BDKRB1 (1.00) BDKRB1
SCHEMBL2950698 0.84 BDKRB1 (0.82) BDKRB1
SCHEMBL3029114 0.83 BDKRB1 (0.79) BDKRB1
SCHEMBL3027288 0.83 BDKRB1 (0.63) BDKRB1
Hydrochloric Acid SCHEMBL2948144 0.82 BDKRB1 (0.78) BDKRB1
SCHEMBL13213824 0.82 BDKRB1 (0.64) BDKRB1
SCHEMBL3025187 0.81 BDKRB1 (0.81) BDKRB1
SCHEMBL2944569 0.80 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 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