SCHEMBL13093059

SCHEMBL13093059

C=CN(/C=C\C)c1cc(C)nc2c(OCc3c(Cl)cncc3C(=O)OC)cccc12

nearest known ligand 0.47

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 20/20 0.47

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
SCHEMBL12711809 0.91 BDKRB2 (0.46) BDKRB2
SCHEMBL14038585 0.89 BDKRB2 (0.57) BDKRB2
SCHEMBL14038623 0.88 BDKRB2 (0.47) BDKRB2
SCHEMBL13093405 0.85 BDKRB2 (0.49) BDKRB2
SCHEMBL12711488 0.85 BDKRB2 (0.51) BDKRB2
SCHEMBL12711935 0.84 BDKRB2 (0.62) BDKRB2
SCHEMBL12711335 0.84 BDKRB2 (0.48) BDKRB2
SCHEMBL12711767 0.84 BDKRB2 (0.50) BDKRB2
SCHEMBL13093009 0.84 BDKRB2 (0.52) BDKRB2
SCHEMBL12712271 0.84 BDKRB2 (0.52) 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