SCHEMBL9819261

SCHEMBL9819261

CN1C(=O)CCN(c2cccc(C(F)(F)F)c2)C1=O

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.54
DRD3 P35462 3/20 0.54
KCNH2 Q12809 1/20 0.52
CYP17A1 P05093 2/20 0.49
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPT P10636 1/20 0.48
ALOX5 P09917 2/20 0.48
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
HTR7 P34969 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HTT P42858 1/20 0.45

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
SCHEMBL11281751 0.87 DRD2 (0.52) DRD2DRD3KCNH2CYP17A1KDM4E
SCHEMBL432973 0.85 ALOX5 (0.55) DRD2DRD3KCNH2KDM4EALDH1A1
SCHEMBL9819249 0.84 NOX4 (0.46)
SCHEMBL4430571 0.81 MAPT (0.48) DRD2DRD3KCNH2KDM4EALDH1A1
SCHEMBL9819448 0.80 DRD2 (0.52) DRD2DRD3KCNH2ALDH1A1MAPT
SCHEMBL25575682 0.80 L3MBTL1 (0.54) DRD2DRD3KDM4EALDH1A1MAPT
SCHEMBL15837517 0.77 MEN1 (0.62) DRD2DRD3ALDH1A1ALOX5MEN1
SCHEMBL6418503 0.77 MEN1 (0.59) DRD2DRD3ALDH1A1MAPTMEN1
SCHEMBL5113275 0.77 ALOX5 (0.59) DRD2DRD3KDM4EALDH1A1MAPT
SCHEMBL8098411 0.75 ALOX5 (0.55) DRD2DRD3KDM4EALDH1A1MAPT

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-0162669-B1 ANTICONVULSIVE COMPOUNDS KYOWA HAKKO KOGYO CO., LTD. (JP) 1991-12-11 EP disclosed
US-4588729-A Treating convulsions with dihydrouracil derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1986-05-13 US disclosed
EP-0162669-A2 Anticonvulsive compounds KYOWA HAKKO KOGYO CO., LTD. (JP) 1985-11-27 EP disclosed