SCHEMBL9428993

SCHEMBL9428993

Cn1c(N2CCN(CCc3ccccc3F)CC2)cc(=O)n(C)c1=O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
MAOB P27338 1/20 0.49
HRH1 P35367 10/20 0.45
HTR2A P28223 2/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
THRB P10828 1/20 0.42
KCNH2 Q12809 3/20 0.42
OPRM1 P35372 2/20 0.42
SIGMAR1 Q99720 2/20 0.42
MCHR1 Q99705 1/20 0.42
MAPT P10636 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
SCHEMBL9429487 0.85 SIGMAR1 (0.50) ALDH1A1MEN1KMT2AHRH1ADRA1D
SCHEMBL9428525 0.83 MEN1 (0.48) ALDH1A1MEN1KMT2AHRH1ADRA1D
SCHEMBL9428857 0.82 HRH1 (0.48) ALDH1A1MEN1KMT2AHRH1ADRA1D
SCHEMBL9383794 0.82 SIGMAR1 (0.55) ALDH1A1MEN1KMT2AHRH1HTR2A
SCHEMBL9429643 0.82 MEN1 (0.55) ALDH1A1MEN1KMT2AHRH1ADRA1D
Hydrochloric Acid SCHEMBL9428451 0.81 MEN1 (0.54) ALDH1A1MEN1KMT2AHRH1ADRA1D
Oxalic Acid SCHEMBL9429467 0.80 HRH1 (0.48) ALDH1A1MEN1KMT2AHRH1ADRA1D
SCHEMBL9429102 0.79 MEN1 (0.44) ALDH1A1MEN1KMT2AHRH1ADRA1D
SCHEMBL9428995 0.79 SIGMAR1 (0.46) ALDH1A1MEN1KMT2AHRH1ADRA1D
SCHEMBL9429030 0.79 OPRM1 (0.46) ALDH1A1MEN1KMT2AHRH1ADRA1D

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