SCHEMBL1713183

SCHEMBL1713183

COC(=O)c1c(Cl)cccc1-c1cnc(CCNC(=O)C2(NC(=O)C(F)(F)F)CC2)c(F)c1

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 20/20 0.69
CNR1 P21554 1/20 0.57

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
SCHEMBL1713193 0.93 BDKRB1 (0.71) BDKRB1CNR1
SCHEMBL1713001 0.90 BDKRB1 (0.68) BDKRB1CNR1
SCHEMBL1713032 0.86 BDKRB1 (0.72) BDKRB1CNR1
SCHEMBL5362567 0.84 BDKRB1 (0.74) BDKRB1CNR1
SCHEMBL13449147 0.82 BDKRB1 (1.00) BDKRB1
SCHEMBL1712917 0.82 BDKRB1 (1.00) BDKRB1
SCHEMBL12476596 0.79 BDKRB1 (0.69) BDKRB1CNR1
SCHEMBL1713231 0.78 BDKRB1 (0.84) BDKRB1CNR1
SCHEMBL1712893 0.78 BDKRB1 (0.71) BDKRB1CNR1
SCHEMBL1712888 0.76 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 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