SCHEMBL7877057

SCHEMBL7877057

c1ccc(-c2nc3c(o2)CCC(c2nccnc2[C@H]2CN2)C3)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 11/20 0.43
PRCP P42785 1/20 0.42
GRM5 P41594 2/20 0.37
MAPT P10636 2/20 0.35
NPC1 O15118 1/20 0.35
CYP1A2 P05177 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
RAB9A P51151 1/20 0.35
S1PR5 Q9H228 1/20 0.31
POLB P06746 1/20 0.30
CASP3 P42574 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
SENP6 Q9GZR1 1/20 0.30
PDE10A Q9Y233 1/20 0.30
ELANE P08246 1/20 0.30

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
SCHEMBL7883808 0.89 GPR119 (0.44) GPR119PRCPGRM5MAPTNPC1
SCHEMBL7877183 0.87 GPR119 (0.36) GPR119GRM5MAPTNPC1HPGD
SCHEMBL7881578 0.87 GPR119 (0.36) GPR119GRM5MAPTNPC1HPGD
SCHEMBL505502 0.83 GRM5 (0.45) GPR119GRM5MAPTNPC1CYP1A2
SCHEMBL7877288 0.79 GPR119 (0.36) GPR119PRCPGRM5
SCHEMBL7885466 0.79 GRM5 (0.39) GPR119PRCPGRM5MAPTNPC1
SCHEMBL505666 0.79 GRM5 (0.56) GPR119GRM5MAPTNPC1CYP1A2
SCHEMBL505759 0.78 GPR119 (0.43) GPR119PRCPGRM5MAPTNPC1
SCHEMBL505795 0.78 GPR119 (0.41) GPR119PRCPGRM5MAPTNPC1
SCHEMBL7879218 0.77 GRM5 (0.38) GPR119PRCPGRM5MAPTNPC1

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-2010114971-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SEPRACOR INC. (US) 2010-10-07 WO disclosed