SCHEMBL14038528

SCHEMBL14038528

Cc1cc(-c2ccnn2C)c2cccc(OCc3c(Cl)cncc3C(CO)c3nccs3)c2n1

nearest known ligand 0.73

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 20/20 0.73

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
SCHEMBL13145275 0.91 BDKRB2 (0.75) BDKRB2
SCHEMBL13145238 0.89 BDKRB2 (0.74) BDKRB2
SCHEMBL13145257 0.88 BDKRB2 (0.69) BDKRB2
SCHEMBL13145083 0.85 BDKRB2 (1.00) BDKRB2
SCHEMBL1564016 0.85 BDKRB2 (0.82) BDKRB2
SCHEMBL13145174 0.84 BDKRB2 (0.78) BDKRB2
SCHEMBL13145094 0.82 BDKRB2 (1.00) BDKRB2
SCHEMBL1564856 0.82 BDKRB2 (0.86) BDKRB2
SCHEMBL1564497 0.81 BDKRB2 (0.76) BDKRB2
SCHEMBL2940207 0.80 BDKRB2 (0.82) 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
WO-2008116620-A1 8-OXY-QUINOLINE DERIVATIVES AS BRADYKININ B2 RECEPTOR MODULATORS JERINI AG (DE) 2008-10-02 WO disclosed