SCHEMBL12476552

SCHEMBL12476552

Cn1nnc(-c2c(F)cc(Cl)cc2-c2ccc(CCNC(=O)OC(C)(C)C)c(F)c2)n1

nearest known ligand 0.52

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 20/20 0.52

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
SCHEMBL6184650 0.89 BDKRB1 (0.47) BDKRB1
SCHEMBL2942732 0.81 BDKRB1 (0.75) BDKRB1
SCHEMBL2943468 0.81 BDKRB1 (0.57) BDKRB1
SCHEMBL9947723 0.80 BDKRB1 (0.66) BDKRB1
SCHEMBL12476448 0.80 BDKRB1 (0.51) BDKRB1
SCHEMBL12476218 0.79 BDKRB1 (0.49) BDKRB1
SCHEMBL12476623 0.78 BDKRB1 (0.55) BDKRB1
SCHEMBL13213786 0.76 BDKRB1 (0.59) BDKRB1
SCHEMBL13214044 0.75 BDKRB1 (0.59) BDKRB1
SCHEMBL13213728 0.75 BDKRB1 (0.58) 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