SCHEMBL13093419

SCHEMBL13093419

C=CNc1cc(C)nc2c(OCc3c(Cl)cncc3OCC(=O)N3CCC3)cccc12

nearest known ligand 0.51

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 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
SCHEMBL13093413 0.85 BDKRB2 (0.52) BDKRB2
SCHEMBL13093417 0.83 BDKRB2 (0.53) BDKRB2
SCHEMBL13093080 0.82 BDKRB2 (0.53) BDKRB2
SCHEMBL13145290 0.81 BDKRB2 (0.72) BDKRB2
SCHEMBL13145284 0.81 BDKRB2 (0.77) BDKRB2
SCHEMBL12711851 0.80 BDKRB2 (0.49) BDKRB2
SCHEMBL13093083 0.80 BDKRB2 (0.72) BDKRB2
SCHEMBL13145279 0.79 BDKRB2 (0.77) BDKRB2
SCHEMBL13092917 0.79 BDKRB2 (0.51) BDKRB2
SCHEMBL13092913 0.78 BDKRB2 (0.53) BDKRB2

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
EP-2144897-B1 8-OXY-QUINOLINE DERIVATIVES AS BRADYKININ B2 RECEPTOR MODULATORS JERINI AG (DE) 2010-10-20 EP disclosed