SCHEMBL13093063

SCHEMBL13093063

C=C(C)N(/C=C\C)c1cc(C)nc2c(OCc3c(Cl)cnc(N(C)C(C)=O)c3Cl)cccc12

nearest known ligand 0.45

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 19/20 0.45

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
SCHEMBL12712363 0.92 BDKRB2 (0.43) BDKRB2
SCHEMBL12711775 0.89 BDKRB2 (0.46) BDKRB2
SCHEMBL12712370 0.88 BDKRB2 (0.40) BDKRB2
SCHEMBL12711740 0.85 BDKRB2 (0.55) BDKRB2
SCHEMBL13093397 0.85 BDKRB2 (0.45) BDKRB2
SCHEMBL12712362 0.82 RORC (0.44) BDKRB2
SCHEMBL13093071 0.79 BDKRB2 (0.42) BDKRB2
SCHEMBL12711843 0.78 BDKRB2 (0.44) BDKRB2
SCHEMBL12711822 0.78 BDKRB2 (0.47) BDKRB2
SCHEMBL12711458 0.77 BDKRB2 (0.50) 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 2 patents. 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
WO-2008116620-A1 8-OXY-QUINOLINE DERIVATIVES AS BRADYKININ B2 RECEPTOR MODULATORS JERINI AG (DE) 2008-10-02 WO disclosed