SCHEMBL14038641

SCHEMBL14038641

Cc1cc(-c2ncc(N)n2C)c2cccc(OCc3c(Cl)ccnc3Cn3cccc(C(F)(F)F)c3=O)c2n1

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 10/20 0.65
CYP3A4 P08684 2/20 0.65
CYP2C19 P33261 1/20 0.65
RORC P51449 10/20 0.51

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
SCHEMBL1564599 0.93 BDKRB2 (0.67) BDKRB2CYP3A4CYP2C19RORC
SCHEMBL2872870 0.93 BDKRB2 (0.67) BDKRB2CYP3A4CYP2C19RORC
SCHEMBL13093091 0.93 BDKRB2 (0.75) BDKRB2CYP3A4CYP2C19RORC
SCHEMBL13146147 0.92 BDKRB2 (0.67) BDKRB2CYP3A4CYP2C19RORC
SCHEMBL12711957 0.91 BDKRB2 (0.64) BDKRB2CYP3A4CYP2C19RORC
SCHEMBL13146144 0.91 BDKRB2 (0.64) BDKRB2CYP3A4CYP2C19RORC
SCHEMBL13146129 0.90 BDKRB2 (0.63) BDKRB2CYP3A4CYP2C19RORC
SCHEMBL13145860 0.88 BDKRB2 (0.75) BDKRB2CYP3A4CYP2C19RORC
SCHEMBL13146182 0.87 BDKRB2 (0.72) BDKRB2CYP3A4CYP2C19RORC
SCHEMBL13146080 0.86 BDKRB2 (0.72) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008116620-A1 8-OXY-QUINOLINE DERIVATIVES AS BRADYKININ B2 RECEPTOR MODULATORS JERINI AG (DE) 2008-10-02 WO disclosed