SCHEMBL9428656

SCHEMBL9428656

CC(=O)c1ccc(CN2CCN(c3cc(=O)n(C)c(=O)n3C)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
HRH1 P35367 10/20 0.48
HRH3 Q9Y5N1 5/20 0.46
ADRA1D P25100 2/20 0.46
ADRA1A P35348 2/20 0.46
ADRA1B P35368 2/20 0.46
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HDAC6 Q9UBN7 1/20 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
SCHEMBL9428772 0.82 KDM4E (0.56) ALDH1A1HRH1HRH3
SCHEMBL9428669 0.81 HRH3 (0.64) HRH1HRH3
SCHEMBL9429182 0.80 HRH3 (0.64) HRH1HRH3
SCHEMBL9429871 0.79 HRH1 (0.48) ALDH1A1MEN1KMT2AHRH1ADRA1D
Oxalic Acid SCHEMBL9385064 0.79 KDM4E (0.58) ALDH1A1MAPTSMN1; SMN2NPSR1
SCHEMBL9387165 0.79 CASP1 (0.52) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL9429477 0.78 HRH1 (0.50) ALDH1A1MEN1KMT2AHRH1HRH3
SCHEMBL9428708 0.77 HRH1 (0.46) ALDH1A1MEN1KMT2AHRH1ADRA1D
SCHEMBL9428850 0.77 MEN1 (0.54) ALDH1A1MEN1KMT2AHRH1MAPT
SCHEMBL1482327 0.76 HDAC6 (0.69) HRH3HDAC6

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