SCHEMBL7877288

SCHEMBL7877288

Fc1ccc(-c2nc3c(o2)CCC(c2ncccc2C2CN2)C3)cc1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.36
GRM5 P41594 5/20 0.34
PRCP P42785 2/20 0.34
ACHE P22303 1/20 0.31
MAPK13 O15264 2/20 0.30
RAF1 P04049 2/20 0.30
MAPK9 P45984 2/20 0.30
MAPK12 P53778 2/20 0.30
MAPK11 Q15759 2/20 0.30
MAPK14 Q16539 2/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 1/20 0.30
ALDH1A1 P00352 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 0.90 GPR119 (0.44) GPR119GRM5PRCP
SCHEMBL7882208 0.89 S1PR1 (0.35) GPR119PRCPACHEALDH1A1
SCHEMBL7872792 0.89 S1PR1 (0.35) GPR119PRCPACHEALDH1A1
SCHEMBL7879696 0.87 NPC1 (0.35) GPR119PRCPACHEALDH1A1
SCHEMBL505982 0.82 GRM5 (0.46) GPR119GRM5PRCPACHEALDH1A1
SCHEMBL7872804 0.82 PRCP (0.35) GPR119GRM5PRCPACHEALDH1A1
SCHEMBL7880734 0.82 GRM5 (0.36) GPR119GRM5PRCPACHE
SCHEMBL7880996 0.81 RAB9A (0.43) GPR119GRM5ALDH1A1
SCHEMBL505120 0.79 PRCP (0.38) GPR119GRM5PRCPACHEALDH1A1
SCHEMBL7877057 0.79 GPR119 (0.43) GPR119GRM5PRCP

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