SCHEMBL12711466

SCHEMBL12711466

CNC(=N)c1cc(C)nc2c(OCc3c(Cl)cnc(N4CCC[C@H]4CN)c3Cl)cccc12

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
RORC P51449 17/20 0.46
BDKRB2 P30411 3/20 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
SCHEMBL12711467 0.86 RORC (0.46) RORCBDKRB2
SCHEMBL13145077 0.81 BDKRB2 (0.63) RORCBDKRB2
SCHEMBL13145056 0.81 BDKRB2 (0.63) RORCBDKRB2
SCHEMBL13145076 0.81 BDKRB2 (0.63) RORCBDKRB2
SCHEMBL13145052 0.81 BDKRB2 (0.50) RORCBDKRB2
SCHEMBL13145040 0.81 BDKRB2 (0.64) RORCBDKRB2
SCHEMBL14038584 0.79 RORC (0.42) RORCBDKRB2
SCHEMBL13145053 0.79 BDKRB2 (0.52) RORCBDKRB2
SCHEMBL14038505 0.78 BDKRB2 (0.43) BDKRB2
SCHEMBL12711844 0.77 BDKRB2 (0.59) 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-2305668-A1 8-oxy-quinoline derivatives as bradykinin B2 receptor modulators Jerini AG (DE) 2011-04-06 EP disclosed
WO-2008116620-A1 8-OXY-QUINOLINE DERIVATIVES AS BRADYKININ B2 RECEPTOR MODULATORS JERINI AG (DE) 2008-10-02 WO disclosed