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Sugi Predict / Compounds / SCHEMBL1722183

SCHEMBL1722183

SCHEMBL1722183

COc1cc(Cl)c(COc2cccc3c(-n4cc(C#N)cn4)cc(C)nc23)c(Cn2cccc(C#N)c2=O)n1.Cc1cc(-n2cc(C#N)cn2)c2cccc(O)c2n1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BDKRB2 P30411 17/20 0.46
▸ CYP3A4 P08684 2/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ RORC P51449 3/20 0.35

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
SCHEMBL1710217 0.96 BDKRB2 (0.49) BDKRB2CYP3A4CYP2C19RORC
SCHEMBL13448525 0.90 BDKRB2 (0.49) BDKRB2CYP3A4CYP2C19RORC
SCHEMBL1710269 0.90 BDKRB2 (0.50) BDKRB2CYP3A4CYP2C19RORC
SCHEMBL1710185 0.89 BDKRB2 (0.48) BDKRB2CYP3A4CYP2C19RORC
SCHEMBL1710276 0.85 BDKRB2 (0.49) BDKRB2CYP3A4CYP2C19RORC
SCHEMBL1710282 0.85 BDKRB2 (0.51) BDKRB2CYP3A4CYP2C19RORC
SCHEMBL12711418 0.84 BDKRB2 (0.51) BDKRB2CYP3A4CYP2C19RORC
SCHEMBL1564772 0.83 BDKRB2 (0.49) BDKRB2CYP3A4CYP2C19RORC
SCHEMBL1710356 0.81 BDKRB2 (0.49) BDKRB2CYP3A4CYP2C19RORC
SCHEMBL1710384 0.81 BDKRB2 (0.49) BDKRB2CYP3A4CYP2C19RORC

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-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