SCHEMBL2939769

SCHEMBL2939769

Cc1cc(Cl)c(COc2cccc3c(-c4conc4C)cc(C)nc23)c(Cc2cc[nH]c(=O)c2C#N)n1

nearest known ligand 0.57

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 20/20 0.57

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
SCHEMBL2940233 0.84 BDKRB2 (0.59) BDKRB2
SCHEMBL2939461 0.84 BDKRB2 (0.58) BDKRB2
SCHEMBL1710284 0.78 BDKRB2 (0.56) BDKRB2
SCHEMBL1565059 0.78 BDKRB2 (0.58) BDKRB2
SCHEMBL2944592 0.74 BDKRB2 (0.53) BDKRB2
SCHEMBL13145171 0.74 BDKRB2 (1.00) BDKRB2
SCHEMBL13146156 0.73 BDKRB2 (0.60) BDKRB2
SCHEMBL1710190 0.73 BDKRB2 (0.55) BDKRB2
SCHEMBL1710164 0.70 BDKRB2 (0.51) BDKRB2
SCHEMBL13448613 0.69 BDKRB2 (0.59) 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 4 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 claimed
WO-2008116620-A1 8-OXY-QUINOLINE DERIVATIVES AS BRADYKININ B2 RECEPTOR MODULATORS JERINI AG (DE) 2008-10-02 WO claimed
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