SCHEMBL13093163

SCHEMBL13093163

C=C/C=C(/c1cc(C)nc2c(OCc3c(Cl)cncc3C(O)c3cccn(C)c3=O)cccc12)N(C)C

nearest known ligand 0.46

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 20/20 0.46

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
SCHEMBL12712315 0.86 BDKRB2 (0.48) BDKRB2
SCHEMBL12711468 0.84 BDKRB2 (0.55) BDKRB2
SCHEMBL13093072 0.83 BDKRB2 (0.52) BDKRB2
SCHEMBL13093127 0.82 BDKRB2 (0.48) BDKRB2
SCHEMBL13093423 0.82 BDKRB2 (0.45) BDKRB2
SCHEMBL12711741 0.82 BDKRB2 (0.46) BDKRB2
SCHEMBL12711346 0.81 BDKRB2 (0.53) BDKRB2
SCHEMBL12712308 0.81 BDKRB2 (0.53) BDKRB2
SCHEMBL12711868 0.81 BDKRB2 (0.46) BDKRB2
SCHEMBL13093195 0.80 BDKRB2 (0.48) 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