SCHEMBL9428708

SCHEMBL9428708

CC(=O)c1cc(CCN2CCN(c3cc(=O)n(C)c(=O)n3C)CC2)ccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 11/20 0.46
SIGMAR1 Q99720 7/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
TMEM97 Q5BJF2 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 0.44
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43

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
SCHEMBL9385217 0.83 HTR1A (0.48) HRH1MEN1ALDH1A1KMT2AADRA1D
SCHEMBL9428246 0.81 MEN1 (0.52) HRH1SIGMAR1CYP1A2CYP2D6TMEM97
Hydrochloric Acid SCHEMBL9428320 0.80 MEN1 (0.51) HRH1SIGMAR1CYP1A2CYP2D6TMEM97
SCHEMBL9428857 0.79 HRH1 (0.48) HRH1MEN1ALDH1A1KMT2AADRA1D
SCHEMBL9428318 0.78 MEN1 (0.54) HRH1MEN1ALDH1A1KMT2AADRA1D
SCHEMBL9428656 0.77 ALDH1A1 (0.50) HRH1MEN1ALDH1A1KMT2AADRA1D
SCHEMBL9429134 0.77 HRH1 (0.43) HRH1MEN1ALDH1A1KMT2AADRA1D
SCHEMBL9428716 0.77 ALDH1A1 (0.52) HRH1SIGMAR1CYP1A2CYP2D6MEN1
SCHEMBL9429643 0.76 MEN1 (0.55) HRH1SIGMAR1MEN1ALDH1A1KMT2A
Oxalic Acid SCHEMBL9428727 0.76 HRH1 (0.48) HRH1MEN1ALDH1A1KMT2AADRA1D

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