SCHEMBL5237783

SCHEMBL5237783

CC(=O)c1ccc(N2CCCN(C(=O)OCc3ccccc3)CC2)cc1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 18/20 0.55
SIGMAR1 Q99720 18/20 0.55
HRH1 P35367 4/20 0.54
HRH3 Q9Y5N1 4/20 0.54
HRH2 P25021 3/20 0.54
HTR1A P08908 2/20 0.54
ADRA2C P18825 2/20 0.54
ADRA2A P08913 2/20 0.54
ADRA2B P18089 2/20 0.54
HTR2C P28335 2/20 0.54
HTR1E P28566 2/20 0.54
DRD1 P21728 1/20 0.54
HTR1B P28222 1/20 0.54
HTR2A P28223 1/20 0.54
SLC6A4 P31645 1/20 0.54
HTR2B P41595 1/20 0.54
ADRB1 P08588 1/20 0.51
DRD3 P35462 1/20 0.48
PRKDC P78527 1/20 0.48
MAOB P27338 1/20 0.48

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
SCHEMBL5233452 0.86 TMEM97 (0.49) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL5233445 0.86 TMEM97 (0.49) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL30938938 0.85 TMEM97 (0.58) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL19381319 0.80 TMEM97 (0.54) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL5229150 0.79 TMEM97 (0.56) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL6132364 0.78 GAA (0.69) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL5237843 0.78 KMT2A (0.54) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL16611411 0.78 MEN1 (0.69) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL5235293 0.78 TMEM97 (0.53) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL2384619 0.77 DRD2 (0.59) TMEM97SIGMAR1HRH1HRH3HRH2

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