SCHEMBL13093057

SCHEMBL13093057

C=C(OCC)c1cnn(-c2cc(C)nc3c(OCc4c(Cl)cncc4Cl)cccc23)c1

nearest known ligand 0.65

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 20/20 0.65

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
SCHEMBL13145069 0.90 BDKRB2 (0.65) BDKRB2
SCHEMBL13145035 0.79 BDKRB2 (0.75) BDKRB2
SCHEMBL13145015 0.79 BDKRB2 (1.00) BDKRB2
SCHEMBL13145245 0.75 BDKRB2 (0.62) BDKRB2
SCHEMBL13145108 0.75 BDKRB2 (0.73) BDKRB2
SCHEMBL13145062 0.74 BDKRB2 (1.00) BDKRB2
SCHEMBL1563888 0.74 BDKRB2 (1.00) BDKRB2
SCHEMBL1563948 0.73 BDKRB2 (0.67) BDKRB2
SCHEMBL22911635 0.73 BDKRB2 (0.56) BDKRB2
SCHEMBL12712287 0.72 BDKRB2 (0.60) 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