SCHEMBL1848465

SCHEMBL1848465

Cc1c(Cc2cccc(C(F)(F)F)c2)oc2cccc(OS(=O)(=O)C(F)(F)F)c12.O=S(=O)(OS(=O)(=O)C(F)(F)F)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
SLC26A3 P40879 5/20 0.37
HTR2B P41595 1/20 0.37
GPR52 Q9Y2T5 1/20 0.37
ALOX5 P09917 1/20 0.36
NR3C1 P04150 1/20 0.35
FFAR4 Q5NUL3 1/20 0.34
EDNRA P25101 1/20 0.34
ABHD6 Q9BV23 1/20 0.34
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
AR P10275 1/20 0.33

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
SCHEMBL3198348 0.97 MAOB (0.40) MAOBMTNR1AMTNR1BSLC26A3HTR2B
SCHEMBL1858690 0.84 GPR52 (0.48) MTNR1AMTNR1BGPR52KMT2A
SCHEMBL1849327 0.82 MTNR1A (0.46) MAOBMTNR1AMTNR1BHTR2BGPR52
SCHEMBL1848567 0.77 ALOX5 (0.56) MAOBMTNR1AMTNR1BSLC26A3HTR2B
Bromide SCHEMBL1852155 0.75 ALOX5 (0.54) MAOBMTNR1AMTNR1BSLC26A3HTR2B
SCHEMBL1858526 0.75 MAPT (0.39) HTR2BABHD6MAPTKMT2ATDP1
SCHEMBL1852157 0.73 ALOX5 (0.52) MAOBMTNR1AMTNR1BSLC26A3HTR2B
SCHEMBL1854575 0.71 HTR2B (0.42) HTR2BMAPTKMT2ATDP1
SCHEMBL1852178 0.70 GPR52 (0.56) MTNR1AMTNR1BGPR52
SCHEMBL27611980 0.69 EDNRA (0.64) EDNRAMAPT

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-2323978-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-05-25 EP disclosed
WO-2010018874-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 WO disclosed