SCHEMBL5229607

SCHEMBL5229607

CN1Cc2cc(N3CCCN(C(=O)OCc4ccccc4)CC3)ccc2C1=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 20/20 0.62
SIGMAR1 Q99720 20/20 0.62
HRH1 P35367 5/20 0.62
HRH3 Q9Y5N1 5/20 0.62
HRH2 P25021 4/20 0.62
HTR1A P08908 3/20 0.62
ADRA2C P18825 2/20 0.62
ADRA2A P08913 2/20 0.62
ADRA2B P18089 2/20 0.62
HTR2A P28223 2/20 0.62
HTR2C P28335 2/20 0.62
HTR2B P41595 2/20 0.62
DRD1 P21728 1/20 0.62
HTR1B P28222 1/20 0.62
HTR1E P28566 1/20 0.62
SLC6A4 P31645 1/20 0.62
ADRB1 P08588 1/20 0.53
CHRM1 P11229 1/20 0.53
SLC6A2 P23975 1/20 0.53
CHRM4 P08173 1/20 0.52

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
SCHEMBL19521478 0.77 TMEM97 (1.00) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL22022214 0.77 PDK2 (0.53)
SCHEMBL22291177 0.77 TMEM97 (0.60) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL19521560 0.77 TMEM97 (1.00) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL19521546 0.77 TMEM97 (1.00) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL5237783 0.77 TMEM97 (0.55) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL5229150 0.77 TMEM97 (0.56) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL24091701 0.76 TMEM97 (0.60) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL5232990 0.76 TMEM97 (0.52) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL5237843 0.76 KMT2A (0.54) 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