SCHEMBL3124268

SCHEMBL3124268

NC(=O)C1(C(=O)NCCc2ncc(-c3cc(Cl)cc(Cl)c3OCC(F)F)cc2F)CC1

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
SCHEMBL12476131 0.84 BDKRB1 (0.51) BDKRB1
SCHEMBL12476473 0.80 BDKRB1 (0.44) BDKRB1
SCHEMBL2950702 0.80 BDKRB1 (0.54) BDKRB1
SCHEMBL12476684 0.79 BDKRB1 (0.50) BDKRB1
SCHEMBL12476539 0.78 BDKRB1 (0.47) BDKRB1
SCHEMBL2945819 0.77 BDKRB1 (0.58) BDKRB1
SCHEMBL3267818 0.77 BDKRB1 (0.52) BDKRB1
SCHEMBL3124274 0.76 BDKRB1 (0.53) BDKRB1
SCHEMBL2943290 0.75 BDKRB1 (0.47) BDKRB1
SCHEMBL13214176 0.74 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010031577-A1 USE OF BRADYKININ B1 RECEPTOR ANTAGONISTS IN INTESTINAL FIBROSIS TREATMENT JERINI AG (DE) 2010-03-25 WO disclosed