SCHEMBL12711397

SCHEMBL12711397

C=C/C=C(/c1cc(C)nc2c(OCc3c(CNC(=O)C(C)C)ccnc3Cl)cccc12)N(C)C

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 20/20 0.48
CYP3A4 P08684 1/20 0.47

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
SCHEMBL12711835 0.88 BDKRB2 (0.62) BDKRB2CYP3A4
SCHEMBL12711891 0.86 BDKRB2 (0.52) BDKRB2CYP3A4
SCHEMBL12711400 0.86 BDKRB2 (0.52) BDKRB2CYP3A4
SCHEMBL12712309 0.85 BDKRB2 (0.52) BDKRB2CYP3A4
SCHEMBL12711880 0.85 BDKRB2 (0.48) BDKRB2CYP3A4
SCHEMBL13093444 0.85 BDKRB2 (0.51) BDKRB2CYP3A4
SCHEMBL12711406 0.84 BDKRB2 (0.51) BDKRB2CYP3A4
SCHEMBL12712270 0.84 BDKRB2 (0.42) BDKRB2
SCHEMBL12712388 0.84 BDKRB2 (0.48) BDKRB2CYP3A4
SCHEMBL13093118 0.83 BDKRB2 (0.57) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2305668-A1 8-oxy-quinoline derivatives as bradykinin B2 receptor modulators Jerini AG (DE) 2011-04-06 EP disclosed
EP-2144897-B1 8-OXY-QUINOLINE DERIVATIVES AS BRADYKININ B2 RECEPTOR MODULATORS JERINI AG (DE) 2010-10-20 EP disclosed