SCHEMBL8744846

SCHEMBL8744846

NCC(=O)CCC(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 1/20 0.46
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
GLRA1 P23415 1/20 0.32
SLC6A9 P48067 1/20 0.32
OR51E2 Q9H255 1/20 0.32
HTR2C P28335 1/20 0.31

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
SCHEMBL3589092 0.83 HTT (0.31)
SCHEMBL15512429 0.76 PLA2G4A (0.40)
Hydrochloric Acid SCHEMBL9195245 0.75
SCHEMBL4257794 0.74 TDP1 (0.45)
SCHEMBL13921046 0.74 GABRR1 (0.46) GABRR1KDM4ELMNAGLRA1SLC6A9
SCHEMBL21022853 0.74 FAAH (0.32) KDM4ELMNA
SCHEMBL429299 0.72
SCHEMBL25309973 0.72 CES1 (0.39)
SCHEMBL15346753 0.72 ACE (0.48) GABRR1KDM4ELMNAOR51E2
SCHEMBL28017992 0.72 EGLN1 (0.41) KDM4ELMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0653421-B1 Process for preparing 2-cyanoimidazole compounds ISHIHARA SANGYO KAISHA (JP) 1997-01-15 EP disclosed
US-5552557-A Process for preparing 2-cyanoimidazole compounds by reaction of an amino ketone compound ISHIHARA SANGYO KAISHA, LTD. (JP) 1996-09-03 US disclosed
EP-0653421-A1 Process for preparing 2-cyanoimidazole compounds ISHIHARA SANGYO KAISHA LTD. (JP) 1995-05-17 EP disclosed