SCHEMBL9428430

SCHEMBL9428430

Cn1c(=O)cc(N2CCN(CCc3ccc(F)cc3)CC2)[nH]c1=O

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.60
GAA P10253 2/20 0.55
LMNA P02545 1/20 0.53
ALDH1A1 P00352 6/20 0.52
MAPT P10636 2/20 0.52
HSD17B10 Q99714 1/20 0.51
NPC1 O15118 1/20 0.50
MAPK1 P28482 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
HTR1A P08908 1/20 0.48
KDM4E B2RXH2 1/20 0.47
PKM P14618 1/20 0.47
KCNJ1 P48048 1/20 0.46
KCNH2 Q12809 1/20 0.46
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
RECQL P46063 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
SCHEMBL9389285 0.84 KCNJ1 (0.60) LMNAKCNJ1KCNH2
SCHEMBL9428289 0.81 HTR1A (0.49) SMN1; SMN2HTR1AKCNJ1KCNH2ADRA1D
SCHEMBL9428657 0.81 LMNA (0.51) SMN1; SMN2GAALMNAALDH1A1MAPT
SCHEMBL9389552 0.78 KCNJ1 (0.59) LMNAALDH1A1KDM4EPKMKCNJ1
SCHEMBL9428545 0.72 HTR1A (0.56) SMN1; SMN2LMNAALDH1A1HSD17B10HTR1A
SCHEMBL9429332 0.71 DRD2 (0.53) LMNAHTR1A
SCHEMBL5745400 0.70 KCNJ1 (0.61) ALDH1A1KCNJ1KCNH2
SCHEMBL3715278 0.68 KCNJ1 (0.58) ALDH1A1MAPTPKMKCNJ1KCNH2
SCHEMBL11107794 0.68 CYP2C9 (0.57) ALDH1A1HTR1AKCNJ1KCNH2ADRA1D
SCHEMBL9384677 0.68 HRH3 (0.54) SMN1; SMN2LMNAALDH1A1MAPTHTR1A

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
US-5332739-A Pyrimidinedione derivatives and antiarrhythmic agents containing same MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1994-07-26 US disclosed
EP-0454498-A2 Pyrimidinedione derivatives and antiarrhythmic agents containing same MITSUI TOATSU CHEMICALS, Inc. (JP) 1991-10-30 EP disclosed