SCHEMBL3124274

SCHEMBL3124274

CCN(C(=O)C1(C(N)=O)CC1)c1ncc(-c2cc(Cl)cc(Cl)c2OCC(F)F)cc1F

nearest known ligand 0.53

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 20/20 0.53

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
SCHEMBL2945817 0.83 BDKRB1 (0.57) BDKRB1
SCHEMBL12476474 0.80 BDKRB1 (0.47) BDKRB1
SCHEMBL2946583 0.78 BDKRB1 (0.57) BDKRB1
SCHEMBL3124268 0.76 BDKRB1 (0.51) BDKRB1
SCHEMBL12476779 0.74 BDKRB1 (0.48) BDKRB1
SCHEMBL9947953 0.73 BDKRB1 (0.52) BDKRB1
SCHEMBL12476684 0.73 BDKRB1 (0.50) BDKRB1
Hydrochloric Acid SCHEMBL2950653 0.72 BDKRB1 (0.55) BDKRB1
SCHEMBL2946582 0.72 BDKRB1 (0.60) BDKRB1
SCHEMBL13214209 0.71 BDKRB1 (0.82) 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