SCHEMBL1713145

SCHEMBL1713145

COC(=O)c1c(F)cccc1-c1ccc(CNC(=O)C2(NC(=O)CC(F)(F)F)CC2)c(F)c1

nearest known ligand 0.81

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 20/20 0.81
CNR1 P21554 1/20 0.81

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
SCHEMBL5784455 0.86 BDKRB1 (0.83) BDKRB1CNR1
SCHEMBL5781633 0.86 BDKRB1 (0.81) BDKRB1CNR1
SCHEMBL5781971 0.81 BDKRB1 (0.80) BDKRB1CNR1
SCHEMBL1713231 0.81 BDKRB1 (0.84) BDKRB1CNR1
SCHEMBL5782125 0.80 BDKRB1 (0.63) BDKRB1CNR1
SCHEMBL1712939 0.78 BDKRB1 (0.50) BDKRB1CNR1
SCHEMBL12477218 0.77 BDKRB1 (0.71) BDKRB1CNR1
SCHEMBL13213721 0.75 BDKRB1 (0.82) BDKRB1CNR1
SCHEMBL5782458 0.75 BDKRB1 (0.65) BDKRB1CNR1
SCHEMBL5362567 0.75 BDKRB1 (0.74) 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 3 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 disclosed
WO-2010031577-A1 USE OF BRADYKININ B1 RECEPTOR ANTAGONISTS IN INTESTINAL FIBROSIS TREATMENT JERINI AG (DE) 2010-03-25 WO disclosed
WO-2010031577-A1 USE OF BRADYKININ B1 RECEPTOR ANTAGONISTS IN INTESTINAL FIBROSIS TREATMENT JERINI AG (DE) 2010-03-25 WO disclosed