SCHEMBL12477102

SCHEMBL12477102

O=C(NC1(C(=O)NCCc2ccc(-c3cc(Cl)cc(Cl)c3OCC(F)F)cc2F)COC1)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 20/20 0.51

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
SCHEMBL12476783 0.90 BDKRB1 (0.50) BDKRB1
SCHEMBL9947707 0.85 BDKRB1 (0.71) BDKRB1
SCHEMBL12477099 0.82 BDKRB1 (0.49) BDKRB1
SCHEMBL9947663 0.82 BDKRB1 (0.69) BDKRB1
SCHEMBL12477050 0.82 BDKRB1 (0.49) BDKRB1
SCHEMBL12476779 0.80 BDKRB1 (0.48) BDKRB1
SCHEMBL12476165 0.80 BDKRB1 (0.51) BDKRB1
SCHEMBL12476538 0.72 BDKRB1 (0.49) BDKRB1
SCHEMBL12476402 0.71 BDKRB1 (0.51) BDKRB1
SCHEMBL9947751 0.69 BDKRB1 (0.67) BDKRB1

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-2658848-A1 NEW BIARYL AMIDE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2013-11-06 EP disclosed
WO-2012089601-A1 NEW BIARYL AMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-07-05 WO disclosed