SCHEMBL2012745

SCHEMBL2012745

Fc1cc(-c2ccccc2)c(F)c(OCc2cccc(CBr)c2)c1F

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GYS1 P13807 6/20 0.39
FFAR1 O14842 3/20 0.38
MRGPRX4 Q96LA9 1/20 0.36
MAPT P10636 1/20 0.36
KDM1A O60341 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
AGXT P21549 1/20 0.36
GSTP1 P09211 1/20 0.35
PTGES O14684 1/20 0.35
HTR1A P08908 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34

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
SCHEMBL2013211 0.92 GYS1 (0.38) GYS1FFAR1MRGPRX4MAPTMAOB
SCHEMBL2012937 0.89 MGAM (0.45) GYS1FFAR1MRGPRX4MAOB
SCHEMBL2012370 0.74 GYS1 (0.52) GYS1MAOBGSTP1
SCHEMBL12585463 0.72 GSTP1 (0.54) FFAR1MRGPRX4MAPTMAOAMAOB
SCHEMBL2012748 0.71 PTGER1 (0.48) GYS1MRGPRX4MAPTKDM1AMAOB
SCHEMBL2012405 0.71 GYS1 (0.54) GYS1MAOBGSTP1
SCHEMBL2011729 0.71 GYS1 (0.54) GYS1MAOB
SCHEMBL1775149 0.71 MAOB (0.58) FFAR1MAPTMAOAMAOBSLC6A2
SCHEMBL18495757 0.70 MGAM (0.39) FFAR1KDM1AMAOAMAOBFFAR4
SCHEMBL2029459 0.69 MAOB (0.49) GYS1FFAR1MAOAMAOBGSTP1

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
WO-2011067266-A1 CARBOXYLIC ACID ANALOGS AS GLYCOGEN SYNTHASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-06-09 WO disclosed