SCHEMBL5232990

SCHEMBL5232990

O=C(OCc1ccccc1)N1CCCN(c2ccc3c(=O)ccoc3c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 18/20 0.52
SIGMAR1 Q99720 18/20 0.52
HRH1 P35367 4/20 0.51
HRH3 Q9Y5N1 4/20 0.51
HTR1A P08908 3/20 0.51
HRH2 P25021 3/20 0.51
ADRA2C P18825 2/20 0.51
ADRA2A P08913 2/20 0.51
ADRA2B P18089 2/20 0.51
HTR2A P28223 2/20 0.51
HTR2C P28335 2/20 0.51
HTR2B P41595 2/20 0.51
DRD1 P21728 1/20 0.51
HTR1B P28222 1/20 0.51
HTR1E P28566 1/20 0.51
SLC6A4 P31645 1/20 0.51
CHRM4 P08173 1/20 0.47
CHRM5 P08912 1/20 0.47
ADRA1D P25100 1/20 0.47
ADRA1A P35348 1/20 0.47

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 0.76 TMEM97 (0.56) TMEM97SIGMAR1HRH1HRH3HTR1A
SCHEMBL5229607 0.76 TMEM97 (0.62) TMEM97SIGMAR1HRH1HRH3HTR1A
SCHEMBL5237843 0.75 KMT2A (0.54) TMEM97SIGMAR1HRH1HRH3HTR1A
SCHEMBL16611411 0.75 MEN1 (0.69) TMEM97SIGMAR1HRH1HRH3HTR1A
SCHEMBL5237783 0.74 TMEM97 (0.55) TMEM97SIGMAR1HRH1HRH3HTR1A
SCHEMBL5232705 0.74 MEN1 (0.53) TMEM97SIGMAR1HRH1HRH3HTR1A
SCHEMBL22291054 0.74 CA1 (0.55) TMEM97SIGMAR1HRH1HRH3HTR1A
SCHEMBL9727540 0.73 NPSR1 (0.68) TMEM97SIGMAR1HRH1HRH3HTR1A
SCHEMBL5109854 0.73 MEN1 (0.71) TMEM97SIGMAR1
SCHEMBL5235772 0.73 MEN1 (0.65) 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