SCHEMBL9428720

SCHEMBL9428720

Cn1c(N2CCN(CCCOc3cc(Cl)cc(Cl)c3)CC2)cc(=O)n(C)c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
KMT2A Q03164 1/20 0.50
SIGMAR1 Q99720 3/20 0.44
HTR1A P08908 3/20 0.44
DRD2 P14416 3/20 0.44
HTR2A P28223 3/20 0.44
DRD3 P35462 2/20 0.44
TMEM97 Q5BJF2 1/20 0.44
DRD1 P21728 1/20 0.43
DRD5 P21918 1/20 0.43
HRH1 P35367 5/20 0.42
ADRA1A P35348 2/20 0.41
HTR7 P34969 1/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HRH3 Q9Y5N1 2/20 0.41
ADRA1D P25100 1/20 0.41

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 SCHEMBL9428327 0.99 MEN1 (0.49) MEN1ALDH1A1KMT2ASIGMAR1HTR1A
SCHEMBL9429324 0.89 DRD2 (0.56) SIGMAR1HTR1ADRD2HTR2ADRD3
SCHEMBL9428306 0.88 LMNA (0.59) MEN1KMT2ASIGMAR1HTR1ADRD2
Hydrochloric Acid SCHEMBL9428228 0.88 SIGMAR1 (0.55) SIGMAR1HTR1ADRD2HTR2ADRD3
Hydrochloric Acid SCHEMBL9428802 0.87 KMT2A (0.58) MEN1KMT2ADRD2HTR2ADRD3
SCHEMBL9429336 0.85 HRH3 (0.55) MEN1KMT2AHTR1ADRD2HTR2A
Hydrochloric Acid SCHEMBL9429865 0.84 HRH3 (0.54) MEN1KMT2ASIGMAR1HTR1ADRD2
SCHEMBL9428864 0.84 KDM4E (0.57) MEN1ALDH1A1KMT2AHTR1ADRD2
SCHEMBL9428694 0.84 ATF4 (0.48) MEN1ALDH1A1KMT2ASIGMAR1HTR1A
SCHEMBL9429006 0.84 HRH1 (0.60) MEN1ALDH1A1KMT2ASIGMAR1HTR1A

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