SCHEMBL2945210

SCHEMBL2945210

Cc1cc(-c2ncc[nH]2)c2cccc(OCc3c(Sc4nccs4)ccnc3Cl)c2n1

nearest known ligand 0.55

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 20/20 0.55

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
SCHEMBL13145214 0.83 BDKRB2 (0.78) BDKRB2
SCHEMBL12711369 0.80 BDKRB2 (0.51) BDKRB2
SCHEMBL1563797 0.79 BDKRB2 (0.65) BDKRB2
SCHEMBL1565100 0.78 BDKRB2 (0.71) BDKRB2
SCHEMBL13092914 0.77 BDKRB2 (0.48) BDKRB2
SCHEMBL12711817 0.76 BDKRB2 (0.47) BDKRB2
SCHEMBL2944510 0.76 BDKRB2 (0.57) BDKRB2
SCHEMBL13145441 0.76 BDKRB2 (0.72) BDKRB2
SCHEMBL2942610 0.72 BDKRB2 (0.54) BDKRB2
SCHEMBL12711820 0.72 BDKRB2 (0.77) 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-A1 8-OXY-QUINOLINE DERIVATIVES AS BRADYKININ B2 RECEPTOR MODULATORS Jerini AG (DE) 2010-01-20 EP disclosed
WO-2008116620-A1 8-OXY-QUINOLINE DERIVATIVES AS BRADYKININ B2 RECEPTOR MODULATORS JERINI AG (DE) 2008-10-02 WO disclosed