SCHEMBL1669279

SCHEMBL1669279

C[S+]([O-])N1CCC(c2cc(F)c(OC3CN(Cc4nc(C(C)(F)F)no4)C3)c(F)c2)CC1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.38
POLB P06746 1/20 0.33
HTT P42858 1/20 0.32
ALDH1A1 P00352 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL1670715 0.93 GPR119 (0.41) GPR119HTTALDH1A1NPC1RAB9A
SCHEMBL12198396 0.87 GPR119 (0.37) GPR119POLBHTTALDH1A1NPC1
SCHEMBL1669280 0.85 GPR119 (0.42) GPR119POLBHTTALDH1A1NPC1
SCHEMBL12198391 0.80 POLB (0.36) GPR119POLBALDH1A1NPC1RAB9A
SCHEMBL1668930 0.79 DRD2 (0.31)
SCHEMBL1669001 0.79 GPR119 (0.41) GPR119POLBHTTALDH1A1NPC1
SCHEMBL1668891 0.79 GPR119 (0.48) GPR119POLBHTTALDH1A1NPC1
SCHEMBL1668356 0.78 GPR119 (0.46) GPR119HTTLMNAMAPK1L3MBTL1
SCHEMBL1668306 0.75 KMT2A (0.43)
SCHEMBL1668925 0.73 LMNA (0.44) GPR119HTTALDH1A1LMNAMAPK1

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 claimed
WO-2011044001-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2011-04-14 WO claimed