SCHEMBL9308902

SCHEMBL9308902

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

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
KMT2A Q03164 1/20 0.48
HRH1 P35367 18/20 0.46
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
Oxalic Acid SCHEMBL9311070 0.97 HRH1 (0.46) MEN1ALDH1A1KMT2AHRH1ADRA1D
SCHEMBL9311080 0.85 HRH1 (0.45) MEN1ALDH1A1KMT2AHRH1ADRA1D
SCHEMBL9311359 0.80 HRH1 (0.46) MEN1ALDH1A1KMT2AHRH1ADRA1D
SCHEMBL9310953 0.80 HTR1A (0.55) MEN1ALDH1A1KMT2AHRH1
Hydrochloric Acid SCHEMBL9309463 0.79 HRH1 (0.46) MEN1ALDH1A1KMT2AHRH1ADRA1D
SCHEMBL9310929 0.79 SLC6A3 (0.49) MEN1ALDH1A1KMT2AHRH1ADRA1D
SCHEMBL9310694 0.77 IDO1 (0.61) MEN1ALDH1A1KMT2AHRH1ADRA1D
SCHEMBL9428912 0.77 HRH1 (0.49) MEN1ALDH1A1KMT2AHRH1ADRA1D
SCHEMBL9309825 0.77 ALDH1A1 (0.46) MEN1ALDH1A1KMT2AHRH1ADRA1D
SCHEMBL9429355 0.77 MEN1 (0.58) MEN1ALDH1A1KMT2AHRH1ADRA1D

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-5308848-A Side effect reduction MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1994-05-03 US disclosed
EP-0452107-A1 Pyrimidinedione derivatives and antiarrythmic agents containing same MITSUI TOATSU CHEMICALS, Inc. (JP) 1991-10-16 EP disclosed