SCHEMBL13093074

SCHEMBL13093074

C=CN(/C=C\C)c1cc(C)nc2c(OCc3c(Cl)cnc(NCCN)c3Cl)cccc12

nearest known ligand 0.41

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 20/20 0.41

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
SCHEMBL12711802 0.95 BDKRB2 (0.44) BDKRB2
SCHEMBL13092892 0.95 BDKRB2 (0.42) BDKRB2
SCHEMBL13093182 0.92 BDKRB2 (0.42) BDKRB2
SCHEMBL13093186 0.89 BDKRB2 (0.46) BDKRB2
SCHEMBL12711748 0.85 BDKRB2 (0.41) BDKRB2
SCHEMBL13093184 0.84 BDKRB2 (0.44) BDKRB2
SCHEMBL14038585 0.83 BDKRB2 (0.57) BDKRB2
SCHEMBL12711784 0.83 BDKRB2 (0.44) BDKRB2
SCHEMBL12711775 0.80 BDKRB2 (0.46) BDKRB2
SCHEMBL13092895 0.79 BDKRB2 (0.41) 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