SCHEMBL5230804

SCHEMBL5230804

COCCc1ccc(N2CCCN(C(=O)OCc3ccccc3)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 12/20 0.52
SIGMAR1 Q99720 12/20 0.52
HTR1A P08908 2/20 0.51
ADRA2C P18825 2/20 0.51
HRH2 P25021 2/20 0.51
HRH1 P35367 2/20 0.51
HRH3 Q9Y5N1 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
KDM4E B2RXH2 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
SCHEMBL5232705 0.88 MEN1 (0.53) TMEM97SIGMAR1HTR1AADRA2CHRH2
SCHEMBL5237792 0.86 GRM5 (0.50) TMEM97SIGMAR1HTR1AADRA2CHRH2
SCHEMBL5235707 0.84 L3MBTL1 (0.51) TMEM97SIGMAR1HTR1AADRA2CHRH2
SCHEMBL5229150 0.83 TMEM97 (0.56) TMEM97SIGMAR1HTR1AADRA2CHRH2
SCHEMBL28706501 0.82 TMEM97 (0.55) TMEM97SIGMAR1HTR1AADRA2CHRH2
SCHEMBL5237843 0.82 KMT2A (0.54) TMEM97SIGMAR1HTR1AADRA2CHRH2
SCHEMBL5235413 0.82 TMEM97 (0.51) TMEM97SIGMAR1HTR1AADRA2CHRH2
SCHEMBL28695496 0.82 ME2 (0.60) TMEM97SIGMAR1HTR1AADRA2CHRH2
SCHEMBL19211095 0.82 MEN1 (0.56) TMEM97SIGMAR1HTR1AADRA2CHRH2
SCHEMBL22291054 0.81 CA1 (0.55) TMEM97SIGMAR1HTR1AADRA2CHRH2

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