SCHEMBL1712893

SCHEMBL1712893

COC(=O)c1c(F)cccc1-c1ccc(CCNC(=O)C2(NC(=O)C(F)(F)F)CC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 18/20 0.71
CNR1 P21554 1/20 0.71
BRS3 P32247 2/20 0.49

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
SCHEMBL1713231 0.89 BDKRB1 (0.84) BDKRB1CNR1
SCHEMBL1713064 0.89 BDKRB1 (0.56) BDKRB1CNR1
SCHEMBL6185817 0.82 BDKRB1 (0.65) BDKRB1CNR1
SCHEMBL1713032 0.82 BDKRB1 (0.72) BDKRB1CNR1
SCHEMBL5362567 0.79 BDKRB1 (0.74) BDKRB1CNR1
SCHEMBL1713183 0.78 BDKRB1 (0.69) BDKRB1CNR1
SCHEMBL1713230 0.77 BDKRB1 (1.00) BDKRB1CNR1
SCHEMBL13449215 0.77 BDKRB1 (1.00) BDKRB1CNR1
SCHEMBL12476596 0.74 BDKRB1 (0.69) BDKRB1CNR1
SCHEMBL1712484 0.73 BDKRB1 (0.72) 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 1 patent. 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