SCHEMBL1710164

SCHEMBL1710164

CCc1ncc(F)c(COc2cccc3c(-c4[nH]ncc4C)cc(C)nc23)c1Cc1cc[nH]c(=O)c1C#N

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 20/20 0.51
CYP3A4 P08684 1/20 0.47

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 0.85 BDKRB2 (0.59) BDKRB2CYP3A4
SCHEMBL1710166 0.80 BDKRB2 (0.59) BDKRB2CYP3A4
SCHEMBL1710190 0.77 BDKRB2 (0.55) BDKRB2CYP3A4
SCHEMBL1564611 0.72 BDKRB2 (0.59) BDKRB2CYP3A4
SCHEMBL13146259 0.72 BDKRB2 (0.58) BDKRB2CYP3A4
SCHEMBL2939769 0.70 BDKRB2 (0.57) BDKRB2
SCHEMBL2939461 0.70 BDKRB2 (0.58) BDKRB2
SCHEMBL13145116 0.69 BDKRB2 (1.00) BDKRB2
SCHEMBL13180133 0.68 BDKRB2 (0.69) BDKRB2CYP3A4
SCHEMBL2944592 0.68 BDKRB2 (0.53) BDKRB2CYP3A4

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