SCHEMBL2948500

SCHEMBL2948500

CC(N)c1ncc(-c2cc(Cl)cc(F)c2-c2cnn(C)c2)cc1F

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MET P08581 4/20 0.42
BDKRB1 P46663 11/20 0.42
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
INPPL1 O15357 1/20 0.39
PDK2 Q15119 1/20 0.39
MAPK1 P28482 1/20 0.39
ERN1 O75460 1/20 0.38

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
SCHEMBL3023390 0.82 BDKRB1 (0.54) BDKRB1
SCHEMBL3615281 0.78 BDKRB1 (0.62) BDKRB1
SCHEMBL13213897 0.78 BDKRB1 (0.50) BDKRB1
SCHEMBL3030512 0.78 BDKRB1 (0.54) BDKRB1
Hydrochloric Acid SCHEMBL3010080 0.77 BDKRB1 (0.53) BDKRB1
SCHEMBL3025046 0.77 BDKRB1 (0.52) BDKRB1
SCHEMBL3025041 0.77 BDKRB1 (0.52) BDKRB1
SCHEMBL3018282 0.77 BDKRB1 (0.34) BDKRB1
SCHEMBL13213899 0.76 BDKRB1 (0.53) BDKRB1
SCHEMBL3025468 0.74 BDKRB1 (0.65) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2396301-A2 SMALL MOLECULE BRADYKININ B1 RECEPTOR ANTAGONISTS Jerini AG (DE) 2011-12-21 EP disclosed
WO-2010091876-A2 SMALL MOLECULE BRADYKININ B1 RECEPTOR ANTAGONISTS JERINI AG (DE) 2010-08-19 WO disclosed