SCHEMBL13064754

SCHEMBL13064754

O=C1NC(Nc2cccc(C(F)(F)F)c2)=NC12CCNCC2

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IDH2 P48735 5/20 0.46
KIF11 P52732 10/20 0.46
HTT P42858 1/20 0.43
GRM5 P41594 1/20 0.42

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
SCHEMBL880139 0.85 PTGIR (0.42) KIF11
SCHEMBL13554399 0.81 HTR2B (0.50) HTTGRM5
SCHEMBL879693 0.80 MAPKAPK2 (0.45)
SCHEMBL851002 0.78 RXFP1 (0.44)
SCHEMBL10291452 0.74 HTR2C (0.46) HTT
SCHEMBL879630 0.73 TSHR (0.39)
SCHEMBL10290859 0.73 MAOB (0.43) HTT
Hydrochloric Acid SCHEMBL848811 0.72 MAOB (0.42) HTT
Hydrochloric Acid SCHEMBL848812 0.72 MAOB (0.42) HTT
SCHEMBL879731 0.71 NISCH (0.45) KIF11

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
US-9487517-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-11-08 US disclosed
US-9169254-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-10-27 US disclosed
WO-2010126030-A1 SPIROIMIDAZOLONE DERIVATIVE 中外製薬株式会社 (JP) 2010-11-04 WO disclosed