SCHEMBL2946704

SCHEMBL2946704

CCNNC(=O)NCc1ccc(-c2cc(Cl)cc(Cl)c2OCC(F)F)cc1F

nearest known ligand 0.49

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 20/20 0.49

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
Hydrochloric Acid SCHEMBL2951916 0.99 BDKRB1 (0.49) BDKRB1
SCHEMBL13214238 0.85 BDKRB1 (0.49) BDKRB1
SCHEMBL13214239 0.84 BDKRB1 (0.45) BDKRB1
SCHEMBL2941891 0.81 BDKRB1 (0.54) BDKRB1
SCHEMBL13214233 0.81 BDKRB1 (0.44) BDKRB1
SCHEMBL13214236 0.81 BDKRB1 (0.61) BDKRB1
SCHEMBL2950379 0.78 BDKRB1 (0.47) BDKRB1
SCHEMBL12476102 0.78 BDKRB1 (0.49) BDKRB1
SCHEMBL2942787 0.78 BDKRB1 (0.50) BDKRB1
Hydrochloric Acid SCHEMBL3036483 0.77 BDKRB1 (0.46) 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