SCHEMBL12711474

SCHEMBL12711474

C=CN(/C=C\C)c1cc(C)nc2c(OCc3c(C)ccnc3CNC(=O)C3CCCCC3)cccc12

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BDKRB2 P30411 19/20 0.64
▸ CYP3A4 P08684 4/20 0.64
▸ CYP2C19 P33261 2/20 0.64
▸ RORC P51449 1/20 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
SCHEMBL13093101 0.99 BDKRB2 (0.63) BDKRB2CYP3A4CYP2C19RORC
SCHEMBL13093456 0.86 BDKRB2 (0.62) BDKRB2CYP3A4CYP2C19
SCHEMBL13093401 0.84 BDKRB2 (0.49) BDKRB2CYP3A4CYP2C19
SCHEMBL13093138 0.84 BDKRB2 (0.49) BDKRB2CYP3A4CYP2C19
SCHEMBL12711872 0.83 BDKRB2 (0.68) BDKRB2CYP3A4CYP2C19RORC
SCHEMBL12711476 0.82 BDKRB2 (0.64) BDKRB2CYP3A4CYP2C19RORC
SCHEMBL12712400 0.81 BDKRB2 (0.46) BDKRB2CYP3A4CYP2C19
SCHEMBL12711889 0.81 BDKRB2 (0.63) BDKRB2CYP3A4CYP2C19RORC
SCHEMBL13092999 0.81 BDKRB2 (0.51) BDKRB2CYP3A4CYP2C19
SCHEMBL12711772 0.79 BDKRB2 (0.38) 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 2 patents. 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
EP-2144897-B1 8-OXY-QUINOLINE DERIVATIVES AS BRADYKININ B2 RECEPTOR MODULATORS JERINI AG (DE) 2010-10-20 — — EP disclosed
Send feedback