SCHEMBL13449147

SCHEMBL13449147

COC(=O)c1c(Cl)cccc1-c1cnc([C@@H](C)NC(=O)C2(NC(=O)C(F)(F)F)CC2)c(F)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 20/20 1.00

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
SCHEMBL1712917 1.00 BDKRB1 (1.00) BDKRB1
SCHEMBL1712888 0.92 BDKRB1 (1.00) BDKRB1
SCHEMBL1712999 0.90 BDKRB1 (1.00) BDKRB1
SCHEMBL5354696 0.90 BDKRB1 (1.00) BDKRB1
Mk0686 SCHEMBL1713029 0.86 BDKRB1 (1.00) BDKRB1
Mk0686 SCHEMBL6183541 0.86 BDKRB1 (1.00) BDKRB1
SCHEMBL6506534 0.82 BDKRB1 (0.84) BDKRB1
SCHEMBL1713183 0.82 BDKRB1 (0.69) BDKRB1
SCHEMBL9947991 0.79 BDKRB1 (1.00) BDKRB1
SCHEMBL1713230 0.78 BDKRB1 (1.00) 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