SCHEMBL12711927

SCHEMBL12711927

COc1ncc(F)c(COc2cccc3c(-c4ncc(C)n4C)cc(C)nc23)c1Cn1cccc(C(F)(F)F)c1=O

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BDKRB2 P30411 12/20 0.55
▸ CYP3A4 P08684 2/20 0.54
▸ CYP2C19 P33261 1/20 0.52
▸ 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
SCHEMBL13093479 0.93 BDKRB2 (0.54) BDKRB2CYP3A4CYP2C19RORC
SCHEMBL1563910 0.91 BDKRB2 (0.52) BDKRB2CYP3A4CYP2C19RORC
SCHEMBL12711919 0.88 BDKRB2 (0.72) BDKRB2CYP3A4CYP2C19
SCHEMBL12711954 0.84 BDKRB2 (0.61) BDKRB2CYP3A4CYP2C19RORC
SCHEMBL12712293 0.84 BDKRB2 (0.77) BDKRB2CYP3A4CYP2C19RORC
SCHEMBL1564599 0.82 BDKRB2 (0.67) BDKRB2CYP3A4CYP2C19RORC
SCHEMBL1564312 0.82 BDKRB2 (0.63) BDKRB2CYP3A4CYP2C19RORC
SCHEMBL12711799 0.80 BDKRB2 (0.78) BDKRB2CYP3A4CYP2C19
SCHEMBL13146125 0.79 BDKRB2 (0.77) BDKRB2CYP3A4CYP2C19RORC
SCHEMBL1722144 0.79 BDKRB2 (0.60) 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-2305668-A1 8-oxy-quinoline derivatives as bradykinin B2 receptor modulators Jerini AG (DE) 2011-04-06 — — EP disclosed
Send feedback