SCHEMBL9428912

SCHEMBL9428912

Cn1c(N2CCN(CC(N)C(=O)c3ccccc3)CC2)cc(=O)n(C)c1=O

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 18/20 0.49
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.46
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 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
Hydrochloric Acid SCHEMBL9429809 0.99 HRH1 (0.48) HRH1MEN1ALDH1A1KMT2AADRA1D
SCHEMBL9429398 0.79 HTR1A (0.56) HRH1ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL9428830 0.78 ALDH1A1 (0.56) HRH1ALDH1A1KMT2A
SCHEMBL9308902 0.77 MEN1 (0.48) HRH1MEN1ALDH1A1KMT2AADRA1D
SCHEMBL9310929 0.77 SLC6A3 (0.49) HRH1MEN1ALDH1A1KMT2AADRA1D
Oxalic Acid SCHEMBL9311070 0.76 HRH1 (0.46) HRH1MEN1ALDH1A1KMT2AADRA1D
SCHEMBL9311359 0.76 HRH1 (0.46) HRH1MEN1ALDH1A1KMT2AADRA1D
SCHEMBL9309825 0.75 ALDH1A1 (0.46) HRH1MEN1ALDH1A1KMT2AADRA1D
Hydrochloric Acid SCHEMBL9429803 0.75 HSD17B10 (0.58) HRH1
SCHEMBL9429355 0.75 MEN1 (0.58) 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 1 patent. 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