SCHEMBL1710352

SCHEMBL1710352

CC(=O)OC(C)c1nccc(Cl)c1COc1cccc2c(-c3n[nH]cc3C)cc(C)nc12

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 20/20 0.46
CYP3A4 P08684 1/20 0.43

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
SCHEMBL1710232 0.93 BDKRB2 (0.46) BDKRB2CYP3A4
SCHEMBL1710442 0.85 BDKRB2 (0.48) BDKRB2CYP3A4
SCHEMBL13145882 0.81 BDKRB2 (0.63) BDKRB2CYP3A4
SCHEMBL12712321 0.81 BDKRB2 (0.46) BDKRB2CYP3A4
SCHEMBL14038595 0.80 BDKRB2 (0.45) BDKRB2CYP3A4
SCHEMBL1710569 0.79 BDKRB2 (0.49) BDKRB2
SCHEMBL1564137 0.79 BDKRB2 (0.43) BDKRB2CYP3A4
SCHEMBL13448509 0.78 BDKRB2 (0.39) BDKRB2CYP3A4
SCHEMBL1710187 0.78 BDKRB2 (0.48) BDKRB2CYP3A4
SCHEMBL13145867 0.77 BDKRB2 (0.62) 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