SCHEMBL9428808

SCHEMBL9428808

Cn1c(N2CCN(CCCc3ccc(C#N)cc3)CC2)cc(=O)n(C)c1=O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 4/20 0.51
KCNH2 Q12809 4/20 0.51
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 1/20 0.47
HRH1 P35367 9/20 0.47
HTR1A P08908 3/20 0.47
DRD4 P21917 1/20 0.47
HTR2A P28223 1/20 0.47
OPRM1 P35372 1/20 0.47
ADRA1D P25100 2/20 0.45
ADRA1A P35348 2/20 0.45
ADRA1B P35368 2/20 0.45
PARP1 P09874 2/20 0.44
PARP2 Q9UGN5 2/20 0.44

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
SCHEMBL9428761 0.96 MEN1 (0.49) KCNJ1KCNH2MEN1ALDH1A1KMT2A
SCHEMBL9428870 0.86 HRH3 (0.57) MEN1ALDH1A1KMT2AHRH1
SCHEMBL9429616 0.85 HRH3 (0.58) MEN1ALDH1A1KMT2AHRH1
SCHEMBL9429541 0.84 SIGMAR1 (0.52) MEN1ALDH1A1KMT2AHRH1HTR1A
SCHEMBL9429307 0.84 SIGMAR1 (0.58) MEN1ALDH1A1KMT2AHRH1ADRA1D
Hydrochloric Acid SCHEMBL9428790 0.83 SIGMAR1 (0.51) MEN1ALDH1A1KMT2AHRH1HTR1A
Hydrochloric Acid SCHEMBL9429389 0.83 SIGMAR1 (0.56) MEN1ALDH1A1KMT2AHRH1OPRM1
SCHEMBL9429273 0.81 HTR1A (0.51) MEN1ALDH1A1KMT2AHRH1HTR1A
SCHEMBL9428701 0.81 SIGMAR1 (0.58) MEN1ALDH1A1KMT2AHRH1ADRA1D
SCHEMBL9383628 0.81 KCNJ1 (0.63) KCNJ1KCNH2MEN1ALDH1A1KMT2A

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