SCHEMBL12711997

SCHEMBL12711997

CNNc1cc(C)nc2c(OCc3c(Cl)ccnc3Cn3cccc(C(F)(F)F)c3=O)cccc12

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 9/20 0.63
CYP3A4 P08684 2/20 0.63
CYP2C19 P33261 1/20 0.63
RORC P51449 11/20 0.48

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
SCHEMBL13093035 0.93 BDKRB2 (0.71) BDKRB2CYP3A4CYP2C19RORC
SCHEMBL13448521 0.93 BDKRB2 (0.57) BDKRB2CYP3A4CYP2C19RORC
SCHEMBL12712314 0.86 BDKRB2 (0.61) BDKRB2CYP3A4CYP2C19RORC
SCHEMBL13146160 0.86 BDKRB2 (0.64) BDKRB2CYP3A4CYP2C19RORC
SCHEMBL12712318 0.85 BDKRB2 (0.63) BDKRB2CYP3A4CYP2C19RORC
SCHEMBL13146182 0.85 BDKRB2 (0.72) BDKRB2CYP3A4CYP2C19RORC
SCHEMBL13146193 0.84 BDKRB2 (0.62) BDKRB2CYP3A4CYP2C19RORC
SCHEMBL13145948 0.84 BDKRB2 (0.71) BDKRB2CYP3A4CYP2C19RORC
SCHEMBL13146202 0.84 BDKRB2 (0.64) BDKRB2CYP3A4CYP2C19RORC
SCHEMBL2872870 0.83 BDKRB2 (0.67) BDKRB2CYP3A4CYP2C19RORC

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 3 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
WO-2008116620-A1 8-OXY-QUINOLINE DERIVATIVES AS BRADYKININ B2 RECEPTOR MODULATORS JERINI AG (DE) 2008-10-02 WO disclosed