SCHEMBL8774381

SCHEMBL8774381

CCOC(=O)CN1C(=O)C(N(C(N)=O)c2cccc(C)c2)N=C(c2ccccc2F)c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 13/20 0.54
CCKAR P32238 6/20 0.54
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL8774581 0.90 CCKBR (0.48) CCKBRCCKAR
SCHEMBL8774572 0.90 CCKBR (0.48) CCKBRCCKAR
SCHEMBL8774390 0.83 CCKBR (0.39) CCKBRCCKAR
SCHEMBL8774318 0.81 CCKBR (0.40) CCKBRCCKAR
SCHEMBL8774308 0.81 CCKBR (0.40) CCKBRCCKAR
SCHEMBL8534798 0.79 CCKBR (0.66) CCKBRCCKARALDH1A1MAPTHTT
SCHEMBL8534795 0.79 CCKBR (0.66) CCKBRCCKARALDH1A1MAPTHTT
SCHEMBL9867205 0.79 CCKBR (0.66) CCKBRCCKARALDH1A1MAPTHTT
SCHEMBL8774370 0.78 CCKBR (0.52) CCKBRCCKAR
SCHEMBL8774379 0.78 CCKBR (0.52) CCKBRCCKAR

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-0804425-A2 BENZODIAZEPINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-11-05 EP disclosed