SCHEMBL5239282

SCHEMBL5239282

CN(C)C(=O)c1ccc(N2CCCN(C(=O)OCc3ccccc3)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 14/20 0.52
SIGMAR1 Q99720 14/20 0.52
HRH1 P35367 3/20 0.51
HRH3 Q9Y5N1 3/20 0.51
HTR1A P08908 2/20 0.51
ADRA2C P18825 2/20 0.51
HRH2 P25021 2/20 0.51
ADRA2A P08913 1/20 0.51
ADRA2B P18089 1/20 0.51
DRD1 P21728 1/20 0.51
HTR1B P28222 1/20 0.51
HTR2A P28223 1/20 0.51
HTR2C P28335 1/20 0.51
HTR1E P28566 1/20 0.51
SLC6A4 P31645 1/20 0.51
HTR2B P41595 1/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
CA1 P00915 2/20 0.49

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
SCHEMBL5229150 0.88 TMEM97 (0.56) TMEM97SIGMAR1HRH1HRH3HTR1A
SCHEMBL22291069 0.87 TMEM97 (0.46) TMEM97SIGMAR1HRH1HRH3HTR1A
SCHEMBL5237843 0.86 KMT2A (0.54) TMEM97SIGMAR1HRH1HRH3HTR1A
SCHEMBL5235413 0.86 TMEM97 (0.51) TMEM97SIGMAR1HRH1HRH3HTR1A
SCHEMBL22290980 0.85 LMNA (0.57) TMEM97SIGMAR1HRH1HRH3HTR1A
SCHEMBL5235707 0.84 L3MBTL1 (0.51) TMEM97SIGMAR1HRH1HRH3HTR1A
SCHEMBL5231132 0.83 NPSR1 (0.50) TMEM97SIGMAR1HRH1HRH3HTR1A
SCHEMBL19950156 0.82 MEN1 (0.60) TMEM97SIGMAR1HRH1HRH3HTR1A
SCHEMBL5235772 0.82 MEN1 (0.65) TMEM97SIGMAR1HRH1HRH3HTR1A
SCHEMBL25170650 0.81 MEN1 (0.56) TMEM97SIGMAR1HRH1HRH3HTR1A

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
EP-1764367-A1 THIENOPYRIDINE DERIVATIVES Sankyo Company, Limited (JP) 2007-03-21 EP disclosed