SCHEMBL9429643

SCHEMBL9429643

Cn1c(N2CCN(CCc3ccccc3)CC2)cc(=O)n(C)c1=O

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.55
ALDH1A1 P00352 2/20 0.55
KMT2A Q03164 2/20 0.55
HTR1A P08908 1/20 0.55
DRD2 P14416 1/20 0.55
MAPT P10636 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
SIGMAR1 Q99720 1/20 0.52
HRH1 P35367 6/20 0.51
ADRA1D P25100 2/20 0.50
ADRA1A P35348 2/20 0.50
ADRA1B P35368 2/20 0.50
TAAR1 Q96RJ0 1/20 0.50
SLC6A3 Q01959 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 SCHEMBL9428451 0.99 MEN1 (0.54) MEN1ALDH1A1KMT2AHTR1ADRD2
SCHEMBL9429307 0.92 SIGMAR1 (0.58) MEN1ALDH1A1KMT2ASIGMAR1HRH1
Hydrochloric Acid SCHEMBL9429389 0.91 SIGMAR1 (0.56) MEN1ALDH1A1KMT2ASIGMAR1HRH1
SCHEMBL9428701 0.91 SIGMAR1 (0.58) MEN1ALDH1A1KMT2ASIGMAR1HRH1
Hydrochloric Acid SCHEMBL9429187 0.90 SIGMAR1 (0.57) MEN1ALDH1A1KMT2ASIGMAR1HRH1
SCHEMBL9428318 0.88 MEN1 (0.54) MEN1ALDH1A1KMT2AMAPTNPSR1
SCHEMBL9428716 0.86 ALDH1A1 (0.52) MEN1ALDH1A1KMT2AHTR1ADRD2
SCHEMBL9428246 0.86 MEN1 (0.52) MEN1ALDH1A1KMT2AHTR1ADRD2
SCHEMBL9428322 0.86 SLC6A3 (0.57) MEN1ALDH1A1KMT2AHTR1ADRD2
Hydrochloric Acid SCHEMBL9428320 0.85 MEN1 (0.51) MEN1ALDH1A1KMT2AHTR1ADRD2

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