SCHEMBL1564388

SCHEMBL1564388

CCCCn1ccnc1Sc1cnccc1[C@H](Cl)Oc1cccc2c(-c3ccnn3C)cc(C)nc12

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 20/20 0.56
CYP3A4 P08684 1/20 0.39

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
SCHEMBL1563721 0.82 BDKRB2 (0.81) BDKRB2
SCHEMBL13145157 0.72 BDKRB2 (1.00) BDKRB2
SCHEMBL13145253 0.66 BDKRB2 (0.81) BDKRB2
SCHEMBL13145083 0.66 BDKRB2 (1.00) BDKRB2
SCHEMBL13145208 0.65 BDKRB2 (0.77) BDKRB2
SCHEMBL13145177 0.65 BDKRB2 (0.77) BDKRB2
SCHEMBL13145147 0.65 BDKRB2 (0.78) BDKRB2
SCHEMBL12711326 0.65 BDKRB2 (0.53) BDKRB2
SCHEMBL1564016 0.64 BDKRB2 (0.82) BDKRB2
SCHEMBL13145218 0.64 BDKRB2 (0.78) 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-2305668-A1 8-oxy-quinoline derivatives as bradykinin B2 receptor modulators Jerini AG (DE) 2011-04-06 EP disclosed