SCHEMBL13093394

SCHEMBL13093394

C=CN(/C=C\C)c1cc(C)nc2c(OCc3c(Cl)cnc(N4CC[C@@H](N)C4)c3Cl)cccc12

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
RORC P51449 11/20 0.41
BDKRB2 P30411 9/20 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
SCHEMBL13092895 0.87 BDKRB2 (0.41) RORCBDKRB2
SCHEMBL14038584 0.85 RORC (0.42) RORCBDKRB2
SCHEMBL13093184 0.80 BDKRB2 (0.44) BDKRB2
SCHEMBL14038585 0.80 BDKRB2 (0.57) BDKRB2
SCHEMBL13145065 0.78 BDKRB2 (0.65) RORCBDKRB2
SCHEMBL13093074 0.78 BDKRB2 (0.41) BDKRB2
SCHEMBL12711748 0.78 BDKRB2 (0.41) BDKRB2
SCHEMBL13145036 0.78 BDKRB2 (0.66) RORCBDKRB2
SCHEMBL13145037 0.78 BDKRB2 (0.66) RORCBDKRB2
SCHEMBL12712362 0.77 RORC (0.44) RORCBDKRB2

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