SCHEMBL5235293

SCHEMBL5235293

CC1(Cc2ccc(N3CCCN(C(=O)OCc4ccccc4)CC3)cc2)OCCO1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 19/20 0.53
SIGMAR1 Q99720 19/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
HRH1 P35367 4/20 0.50
HRH3 Q9Y5N1 4/20 0.50
ADRA2A P08913 3/20 0.50
ADRA2B P18089 3/20 0.50
HRH2 P25021 3/20 0.50
HTR2C P28335 3/20 0.50
HTR1E P28566 2/20 0.50
HTR1A P08908 2/20 0.50
HTR2A P28223 2/20 0.50
HTR2B P41595 2/20 0.50
ADRA2C P18825 1/20 0.50
DRD1 P21728 1/20 0.50
HTR1B P28222 1/20 0.50
SLC6A4 P31645 1/20 0.50
DRD3 P35462 2/20 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
SCHEMBL6132438 0.80 MEN1 (0.60) TMEM97SIGMAR1MEN1KMT2ANPSR1
SCHEMBL5232705 0.80 MEN1 (0.53) TMEM97SIGMAR1MEN1KMT2ANPSR1
SCHEMBL5229150 0.80 TMEM97 (0.56) TMEM97SIGMAR1MEN1KMT2ANPSR1
SCHEMBL5230804 0.79 TMEM97 (0.52) TMEM97SIGMAR1MEN1KMT2ANPSR1
SCHEMBL5237843 0.79 KMT2A (0.54) TMEM97SIGMAR1MEN1KMT2ANPSR1
SCHEMBL5235772 0.78 MEN1 (0.65) TMEM97SIGMAR1MEN1KMT2ANPSR1
SCHEMBL5235413 0.78 TMEM97 (0.51) TMEM97SIGMAR1MEN1KMT2ANPSR1
SCHEMBL22291054 0.78 CA1 (0.55) TMEM97SIGMAR1MEN1KMT2ANPSR1
SCHEMBL22291177 0.78 TMEM97 (0.60) TMEM97SIGMAR1HRH1HRH3ADRA2A
SCHEMBL5237783 0.78 TMEM97 (0.55) TMEM97SIGMAR1HRH1HRH3ADRA2A

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