SCHEMBL13093009

SCHEMBL13093009

C=CN(/C=C\C)c1cc(C)nc2c(OCc3c(Cl)cncc3CNC(=O)CCC)cccc12

nearest known ligand 0.52

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 20/20 0.52

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
SCHEMBL13093000 0.96 BDKRB2 (0.50) BDKRB2
SCHEMBL12711395 0.93 BDKRB2 (0.52) BDKRB2
SCHEMBL12711488 0.92 BDKRB2 (0.51) BDKRB2
SCHEMBL12711935 0.91 BDKRB2 (0.62) BDKRB2
SCHEMBL13092922 0.90 BDKRB2 (0.54) BDKRB2
SCHEMBL12712396 0.90 BDKRB2 (0.52) BDKRB2
SCHEMBL12711900 0.89 BDKRB2 (0.55) BDKRB2
SCHEMBL13092999 0.89 BDKRB2 (0.51) BDKRB2
SCHEMBL13093138 0.88 BDKRB2 (0.49) BDKRB2
SCHEMBL13093109 0.87 BDKRB2 (0.49) BDKRB2

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