SCHEMBL9428306

SCHEMBL9428306

Cn1c(N2CCN(CCCOc3cccc(Cl)c3)CC2)cc(=O)n(C)c1=O

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.59
MAPK1 P28482 1/20 0.59
HTT P42858 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
HRH3 Q9Y5N1 12/20 0.55
CYP2D6 P10635 1/20 0.52
KCNH2 Q12809 1/20 0.52
SLC6A2 P23975 1/20 0.49
SLC6A4 P31645 1/20 0.49
HTR1A P08908 1/20 0.49
DRD2 P14416 1/20 0.49
HTR2A P28223 1/20 0.49
DRD3 P35462 1/20 0.49
TMEM97 Q5BJF2 1/20 0.49
SIGMAR1 Q99720 1/20 0.49

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
Hydrochloric Acid SCHEMBL9428802 0.99 KMT2A (0.58) LMNAMAPK1HTTSMN1; SMN2KMT2A
SCHEMBL9428720 0.88 MEN1 (0.50) LMNAMAPK1HTTSMN1; SMN2KMT2A
SCHEMBL9428476 0.87 ALDH1A1 (0.58) LMNAMAPK1SMN1; SMN2KMT2AMEN1
Hydrochloric Acid SCHEMBL9428327 0.87 MEN1 (0.49) LMNAMAPK1HTTSMN1; SMN2KMT2A
SCHEMBL9429324 0.87 DRD2 (0.56) HRH3HTR1ADRD2HTR2ADRD3
SCHEMBL9429006 0.87 HRH1 (0.60) MAPK1SMN1; SMN2KMT2AMEN1HRH3
SCHEMBL9428590 0.86 DRD2 (0.48) KMT2AMEN1KCNH2SLC6A2SLC6A4
SCHEMBL9428742 0.86 HRH1 (0.47) KMT2AMEN1HTR1ADRD2HTR2A
Hydrochloric Acid SCHEMBL9428228 0.86 SIGMAR1 (0.55) HRH3HTR1ADRD2HTR2ADRD3
SCHEMBL9428864 0.85 KDM4E (0.57) SMN1; SMN2KMT2AMEN1HTR1ADRD2

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