SCHEMBL2876457

SCHEMBL2876457

Cc1cc(Cl)c(COc2cccc3c(-c4ccc(OC(N)=O)n4C)cc(C)nc23)c(Cn2cccc(C(F)(F)F)c2=O)n1

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 12/20 0.59
CYP3A4 P08684 2/20 0.55
CYP2C19 P33261 1/20 0.55
RORC P51449 8/20 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
SCHEMBL2877917 0.91 BDKRB2 (0.60) BDKRB2CYP3A4CYP2C19RORC
SCHEMBL12711449 0.89 BDKRB2 (0.64) BDKRB2CYP3A4CYP2C19RORC
SCHEMBL12711499 0.89 BDKRB2 (0.59) BDKRB2CYP3A4CYP2C19RORC
SCHEMBL2874058 0.88 BDKRB2 (0.45) BDKRB2CYP3A4CYP2C19
SCHEMBL13146226 0.88 BDKRB2 (0.61) BDKRB2CYP3A4CYP2C19RORC
SCHEMBL13093469 0.87 BDKRB2 (0.62) BDKRB2CYP3A4CYP2C19RORC
SCHEMBL13093027 0.87 BDKRB2 (0.61) BDKRB2CYP3A4CYP2C19RORC
SCHEMBL13146166 0.86 BDKRB2 (0.61) BDKRB2CYP3A4CYP2C19RORC
SCHEMBL13145830 0.84 BDKRB2 (0.81) BDKRB2CYP3A4CYP2C19
SCHEMBL13146272 0.84 BDKRB2 (0.66) 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
EP-2144897-B1 8-OXY-QUINOLINE DERIVATIVES AS BRADYKININ B2 RECEPTOR MODULATORS JERINI AG (DE) 2010-10-20 EP claimed