SCHEMBL13093407

SCHEMBL13093407

C=C/C=C(/c1cc(C)nc2c(OCc3c(Cl)cncc3CNC(C)=O)cccc12)N(C)C

nearest known ligand 0.61

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 20/20 0.61

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
SCHEMBL12711349 0.94 BDKRB2 (0.65) BDKRB2
SCHEMBL12711904 0.93 BDKRB2 (0.56) BDKRB2
SCHEMBL12711835 0.93 BDKRB2 (0.62) BDKRB2
SCHEMBL12711897 0.92 BDKRB2 (0.55) BDKRB2
SCHEMBL12711898 0.92 BDKRB2 (0.55) BDKRB2
SCHEMBL12711483 0.91 BDKRB2 (0.54) BDKRB2
SCHEMBL12712259 0.91 BDKRB2 (0.58) BDKRB2
SCHEMBL13093118 0.91 BDKRB2 (0.57) BDKRB2
SCHEMBL13093426 0.91 BDKRB2 (0.55) BDKRB2
SCHEMBL14038551 0.91 BDKRB2 (0.54) 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-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