SCHEMBL3013275

SCHEMBL3013275

Cc1cc(-c2ccnn2C)c2cccc(OCc3c(COC(=O)N(C)C)cnc(N)c3Cl)c2n1.Cc1cc(-n2ccnc2)c2cccc(O)c2n1

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 19/20 0.65
CYP3A4 P08684 1/20 0.44
RORC P51449 1/20 0.43

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
SCHEMBL1564499 0.89 BDKRB2 (0.79) BDKRB2CYP3A4
SCHEMBL1563768 0.80 BDKRB2 (0.78) BDKRB2CYP3A4
SCHEMBL1563978 0.80 BDKRB2 (1.00) BDKRB2
SCHEMBL13145341 0.75 BDKRB2 (0.88) BDKRB2
SCHEMBL1564724 0.75 BDKRB2 (0.78) BDKRB2
SCHEMBL13145349 0.74 BDKRB2 (0.86) BDKRB2
SCHEMBL13145211 0.72 BDKRB2 (0.84) BDKRB2
SCHEMBL1563859 0.71 BDKRB2 (0.86) BDKRB2
SCHEMBL13145346 0.71 BDKRB2 (0.76) BDKRB2CYP3A4
SCHEMBL13145323 0.70 BDKRB2 (0.80) 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-2144897-A1 8-OXY-QUINOLINE DERIVATIVES AS BRADYKININ B2 RECEPTOR MODULATORS Jerini AG (DE) 2010-01-20 EP disclosed
WO-2008116620-A1 8-OXY-QUINOLINE DERIVATIVES AS BRADYKININ B2 RECEPTOR MODULATORS JERINI AG (DE) 2008-10-02 WO disclosed