SCHEMBL4599753

SCHEMBL4599753

COC(c1ccccc1)N1CCO[C@@H](c2ccc(OS(C)(=O)=O)cc2)C1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MOGAT2 Q3SYC2 3/20 0.40
CNR2 P34972 2/20 0.37
MGAT2 Q10469 1/20 0.35
CHRM2 P08172 1/20 0.34
HTR1A P08908 1/20 0.34
DRD3 P35462 1/20 0.34
HTR2B P41595 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
CYP2D6 P10635 1/20 0.33
GSK3B P49841 1/20 0.33
HRH1 P35367 2/20 0.32
CCR3 P51677 2/20 0.32

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
SCHEMBL2298058 0.87 MOGAT2 (0.43) MOGAT2CNR2MGAT2CHRM2HTR1A
SCHEMBL2294914 0.87 MOGAT2 (0.43) MOGAT2CNR2MGAT2CHRM2HTR1A
SCHEMBL2299687 0.87 MOGAT2 (0.43) MOGAT2CNR2MGAT2CHRM2HTR1A
SCHEMBL2296463 0.87 MOGAT2 (0.43) MOGAT2CNR2MGAT2CHRM2HTR1A
SCHEMBL4599776 0.78 KMT2A (0.35) MOGAT2CNR2LMNAL3MBTL1
SCHEMBL4164179 0.77 MOGAT2 (0.40) MOGAT2CNR2CHRM2HTR1ADRD3
SCHEMBL2294378 0.77 MOGAT2 (0.40) MOGAT2CNR2CHRM2HTR1ADRD3
SCHEMBL2296254 0.77 MOGAT2 (0.40) MOGAT2CNR2CHRM2HTR1ADRD3
SCHEMBL2294004 0.77 MOGAT2 (0.40) MOGAT2CNR2CHRM2HTR1ADRD3
SCHEMBL2296987 0.77 MOGAT2 (0.40) MOGAT2CNR2CHRM2HTR1ADRD3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1910320-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2008-04-16 EP claimed
WO-2007011065-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-01-25 WO claimed