SCHEMBL13093256

SCHEMBL13093256

C/C=C(C)\C(=N/C)c1cc(C)nc2c(OCc3c(Cl)cc(C)nc3C(C)n3ccc(=O)n(C)c3=O)cccc12

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 18/20 0.38
RORC P51449 2/20 0.34

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
SCHEMBL13093477 0.80 BDKRB2 (0.36) BDKRB2RORC
SCHEMBL13093270 0.80 BDKRB2 (0.36) BDKRB2RORC
SCHEMBL14038570 0.79 BDKRB2 (0.46) BDKRB2
SCHEMBL13448481 0.78 BDKRB2 (0.38) BDKRB2
SCHEMBL14038656 0.77 BDKRB2 (0.38) BDKRB2RORC
SCHEMBL12711410 0.77 BDKRB2 (0.57) BDKRB2
SCHEMBL13448511 0.77 BDKRB2 (0.40) BDKRB2
SCHEMBL13448509 0.77 BDKRB2 (0.39) BDKRB2
SCHEMBL13448514 0.72 BDKRB2 (0.41) BDKRB2
SCHEMBL13093084 0.72 BDKRB2 (0.54) 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