SCHEMBL12476402

SCHEMBL12476402

Cn1nnc(-c2c(F)cc(Cl)cc2-c2cnc(CCNC(=O)C3(NC(=O)OCC4c5ccccc5-c5ccccc54)COC3)c(F)c2)n1

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
SCHEMBL12476165 0.91 BDKRB1 (0.51) BDKRB1
SCHEMBL9947738 0.86 BDKRB1 (0.69) BDKRB1
SCHEMBL12476399 0.84 BDKRB1 (0.49) BDKRB1
SCHEMBL9947971 0.83 BDKRB1 (0.70) BDKRB1
SCHEMBL12476783 0.81 BDKRB1 (0.50) BDKRB1
SCHEMBL12476162 0.81 BDKRB1 (0.48) BDKRB1
SCHEMBL12477012 0.75 BDKRB1 (0.71) BDKRB1
SCHEMBL1713234 0.74 BDKRB1 (0.70) BDKRB1
SCHEMBL9947875 0.74 BDKRB1 (0.70) BDKRB1
SCHEMBL12477102 0.71 BDKRB1 (0.51) 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