SCHEMBL1710284

SCHEMBL1710284

COc1cc(Cl)c(COc2cccc3c(-c4conc4C)cc(C)nc23)c(Cc2ccc(C#N)c(=O)[nH]2)n1

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 19/20 0.56
MBOAT4 Q96T53 1/20 0.37

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
SCHEMBL2943598 0.79 BDKRB2 (0.59) BDKRB2
SCHEMBL2946065 0.79 BDKRB2 (0.59) BDKRB2
SCHEMBL2939769 0.78 BDKRB2 (0.57) BDKRB2
SCHEMBL2943603 0.78 BDKRB2 (0.44) BDKRB2
SCHEMBL13448613 0.77 BDKRB2 (0.59) BDKRB2
SCHEMBL1565059 0.76 BDKRB2 (0.58) BDKRB2
SCHEMBL13145171 0.73 BDKRB2 (1.00) BDKRB2
SCHEMBL1710449 0.72 MBOAT4 (0.40) MBOAT4
SCHEMBL1722853 0.70 BDKRB2 (0.48) BDKRB2
SCHEMBL1722161 0.70 BDKRB2 (0.46) 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-2344477-A1 SMALL MOLECULE BRADYKININ B2 RECEPTOR MODULATORS Jerini AG (DE) 2011-07-20 EP claimed
WO-2010031589-A1 SMALL MOLECULE BRADYKININ B2 RECEPTOR MODULATORS JERINI AG (DE) 2010-03-25 WO claimed
EP-2344477-A1 SMALL MOLECULE BRADYKININ B2 RECEPTOR MODULATORS Jerini AG (DE) 2011-07-20 EP disclosed
WO-2010031589-A1 SMALL MOLECULE BRADYKININ B2 RECEPTOR MODULATORS JERINI AG (DE) 2010-03-25 WO disclosed