SCHEMBL5166377

SCHEMBL5166377

FC(F)(F)c1cc(C(F)(F)F)c2nc(-c3ccc(-c4nccc(C(F)(F)F)c4Cl)cn3)[nH]c2c1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CBFB Q13951 2/20 0.49
CACNA1H O95180 12/20 0.40
CACNA1G O43497 5/20 0.40
CACNA1C Q13936 4/20 0.40
CACNA1B Q00975 3/20 0.40
TRPV1 Q8NER1 1/20 0.38
NPBWR1 P48145 2/20 0.36
DHODH Q02127 1/20 0.35
EGLN1 Q9GZT9 1/20 0.34

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
SCHEMBL4193029 0.93 CBFB (0.51) CBFBCACNA1HCACNA1GCACNA1CCACNA1B
SCHEMBL904568 0.87 CBFB (0.56) CBFBCACNA1HCACNA1GCACNA1CCACNA1B
Hydrochloric Acid SCHEMBL4193032 0.86 CBFB (0.55) CBFBCACNA1HCACNA1GCACNA1CCACNA1B
SCHEMBL4179849 0.85 TRPV1 (0.53) CBFBCACNA1HCACNA1GCACNA1CCACNA1B
SCHEMBL4186864 0.84 CBFB (0.53) CBFBCACNA1HCACNA1GCACNA1CCACNA1B
SCHEMBL4189178 0.84 CBFB (0.50) CBFBCACNA1HCACNA1GCACNA1CCACNA1B
SCHEMBL4191057 0.81 CBFB (0.65) CBFBTRPV1
SCHEMBL16121400 0.80 CBFB (0.52) CBFBCACNA1HCACNA1GCACNA1CCACNA1B
SCHEMBL904608 0.78 CBFB (0.67) CBFBTRPV1NPBWR1DHODHEGLN1
SCHEMBL4184178 0.77 TRPV1 (0.51) CBFBTRPV1

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-1861387-A1 NOVEL BENZOIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2007-12-05 EP disclosed
WO-2006080821-A1 NOVEL BENZOIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2006-08-03 WO disclosed