SCHEMBL1669014

SCHEMBL1669014

C[S+]([O-])N1CCC(c2cc(F)c(OC3CCN(Cc4nc(C(F)(F)F)no4)CC3)cc2F)CC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.51
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 3/20 0.33
LMNA P02545 2/20 0.33
HTT P42858 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CNR2 P34972 2/20 0.33
GRM2 Q14416 1/20 0.31
CNR1 P21554 1/20 0.31

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
SCHEMBL12198415 0.87 GPR119 (0.51) GPR119MAPK1L3MBTL1ALDH1A1LMNA
SCHEMBL1669016 0.85 GPR119 (0.56) GPR119MAPK1L3MBTL1ALDH1A1LMNA
SCHEMBL1668925 0.81 LMNA (0.44) GPR119MAPK1L3MBTL1ALDH1A1LMNA
SCHEMBL1670715 0.79 GPR119 (0.41) GPR119MAPK1L3MBTL1ALDH1A1LMNA
SCHEMBL1668613 0.73 GPR119 (0.52) GPR119MAPK1L3MBTL1LMNAHTT
SCHEMBL1671302 0.73 GPR119 (0.62) GPR119ALDH1A1LMNAMEN1KMT2A
SCHEMBL12198414 0.73 GPR119 (0.51) GPR119MAPK1L3MBTL1ALDH1A1LMNA
SCHEMBL1669279 0.72 GPR119 (0.38) GPR119MAPK1L3MBTL1ALDH1A1LMNA
SCHEMBL1668836 0.72 GPR119 (0.56) GPR119MAPK1L3MBTL1ALDH1A1LMNA
SCHEMBL12198416 0.70 GPR119 (0.47) GPR119ALDH1A1LMNAHTTNPC1

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-2486033-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2012-08-15 EP disclosed
WO-2011044001-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2011-04-14 WO disclosed