SCHEMBL1712939

SCHEMBL1712939

COC(=O)c1c(-c2ccc(CNC(=O)C3(NC(=O)CC(F)(F)F)CC3)cc2)ccc(F)c1F

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 20/20 0.50
CNR1 P21554 1/20 0.50

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
SCHEMBL5782458 0.82 BDKRB1 (0.65) BDKRB1CNR1
SCHEMBL1713064 0.79 BDKRB1 (0.56) BDKRB1CNR1
SCHEMBL1713145 0.78 BDKRB1 (0.81) BDKRB1CNR1
SCHEMBL5782125 0.73 BDKRB1 (0.63) BDKRB1CNR1
SCHEMBL1712485 0.72 BDKRB1 (0.63) BDKRB1CNR1
SCHEMBL12239061 0.70 CYP3A4 (0.40) BDKRB1CNR1
SCHEMBL765124 0.70 PTGER4 (0.44)
SCHEMBL765182 0.68 L3MBTL1 (0.41) BDKRB1
SCHEMBL1712893 0.68 BDKRB1 (0.71) BDKRB1CNR1
SCHEMBL5783113 0.67 BDKRB1 (0.52) BDKRB1CNR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2344176-A1 USE OF BRADYKININ B1 RECEPTOR ANTAGONISTS IN INTESTINAL FIBROSIS TREATMENT Jerini AG (DE) 2011-07-20 EP claimed
WO-2010031577-A1 USE OF BRADYKININ B1 RECEPTOR ANTAGONISTS IN INTESTINAL FIBROSIS TREATMENT JERINI AG (DE) 2010-03-25 WO claimed
EP-2344176-A1 USE OF BRADYKININ B1 RECEPTOR ANTAGONISTS IN INTESTINAL FIBROSIS TREATMENT Jerini AG (DE) 2011-07-20 EP disclosed
WO-2010031577-A1 USE OF BRADYKININ B1 RECEPTOR ANTAGONISTS IN INTESTINAL FIBROSIS TREATMENT JERINI AG (DE) 2010-03-25 WO disclosed