SCHEMBL1898281

SCHEMBL1898281

COc1ccccc1SC1CCN(c2ncnc(-c3[c]ccc(-n4cncn4)c3)c2[N+](=O)[O-])CC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.48
ACHE P22303 2/20 0.34
BACE1 P56817 2/20 0.34
PDGFRB P09619 5/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
MAPT P10636 2/20 0.32
KIT P10721 1/20 0.31
PDGFRA P16234 1/20 0.31
FLT3 P36888 1/20 0.31
SLC2A1 P11166 1/20 0.31
MAPK1 P28482 1/20 0.31
RPS6KB1 P23443 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
SCHEMBL390339 0.81 GPR119 (0.73) GPR119PDGFRB
SCHEMBL385801 0.67 GPR119 (0.81) GPR119
SCHEMBL388663 0.65 GPR119 (1.00) GPR119
SCHEMBL5264267 0.63 GPR119 (0.63) GPR119PDGFRB
SCHEMBL1674106 0.62 GPR119 (0.59) GPR119MAPTMAPK1
SCHEMBL27632164 0.61 GPR119 (0.46) GPR119
SCHEMBL388439 0.60 GPR119 (0.65) GPR119MAPTPDGFRA
SCHEMBL1070108 0.59 GPR119 (0.79) GPR119MAPT
SCHEMBL12312090 0.59 ALDH1A1 (0.56) MAPT
SCHEMBL30832672 0.59 ALDH1A1 (0.56) MAPT

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
EP-2322152-A1 Method of preparing a composition comprising a GPR119 agonist Arena Pharmaceuticals, Inc. (US) 2011-05-18 EP disclosed