SCHEMBL13092925

SCHEMBL13092925

C/C=N\C(=C(/C)Cl)c1cc(C)nc2c(OCc3c(Cl)cc(C)nc3CNC(C)=O)cccc12

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 20/20 0.46
CYP3A4 P08684 1/20 0.38

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
SCHEMBL12711415 0.92 BDKRB2 (0.47) BDKRB2CYP3A4
SCHEMBL12711930 0.92 BDKRB2 (0.46) BDKRB2CYP3A4
SCHEMBL12711365 0.87 BDKRB2 (0.62) BDKRB2
SCHEMBL12712312 0.85 BDKRB2 (0.53) BDKRB2CYP3A4
SCHEMBL13093243 0.84 BDKRB2 (0.38) BDKRB2
SCHEMBL12711445 0.84 BDKRB2 (0.41) BDKRB2CYP3A4
SCHEMBL12711446 0.84 BDKRB2 (0.51) BDKRB2CYP3A4
SCHEMBL12712377 0.82 BDKRB2 (0.55) BDKRB2
SCHEMBL13093092 0.81 BDKRB2 (0.61) BDKRB2CYP3A4
SCHEMBL12711939 0.80 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2144897-B1 8-OXY-QUINOLINE DERIVATIVES AS BRADYKININ B2 RECEPTOR MODULATORS JERINI AG (DE) 2010-10-20 EP disclosed