SCHEMBL12711820

SCHEMBL12711820

Cc1cc(-c2ncc(C)n2C)c2cccc(OCc3c(Cl)cncc3Sc3nccs3)c2n1

nearest known ligand 0.77

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 20/20 0.77

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
SCHEMBL13145209 0.94 BDKRB2 (0.77) BDKRB2
SCHEMBL1564962 0.89 BDKRB2 (0.77) BDKRB2
SCHEMBL13145195 0.89 BDKRB2 (0.81) BDKRB2
SCHEMBL13145094 0.87 BDKRB2 (1.00) BDKRB2
SCHEMBL12712269 0.87 BDKRB2 (1.00) BDKRB2
SCHEMBL13145441 0.85 BDKRB2 (0.72) BDKRB2
SCHEMBL1564015 0.83 BDKRB2 (0.70) BDKRB2
SCHEMBL13145081 0.83 BDKRB2 (0.77) BDKRB2
SCHEMBL12711756 0.82 BDKRB2 (0.68) BDKRB2
SCHEMBL13145306 0.82 BDKRB2 (0.68) 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-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