SCHEMBL4425807

SCHEMBL4425807

O=C(O)CCc1cc2c(F)cc(F)cc2[nH]c1=O

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR17 Q13304 11/20 0.52
NPSR1 Q6W5P4 1/20 0.40
EGFR P00533 2/20 0.39
CNR1 P21554 1/20 0.38
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37
SRC P12931 1/20 0.37
PARP1 P09874 1/20 0.37

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
SCHEMBL4430524 0.82 LMNA (0.43) GPR17
SCHEMBL4426955 0.82 DAO (0.56) GPR17EGFRGRIN2DGRIN3BGRIN1
SCHEMBL4425832 0.77 DAO (0.55) GPR17
SCHEMBL3841830 0.75 GRIN1 (0.36) GPR17CNR1GRIN2DGRIN3BGRIN1
Trifluoroacetic Acid SCHEMBL30355119 0.74 NEK1 (0.39) GPR17
Trifluoroacetic Acid SCHEMBL30355116 0.74 NEK1 (0.39) GPR17
SCHEMBL5047640 0.72 MPO (0.36) CNR1PARP1
Trifluoroacetic Acid SCHEMBL30355104 0.72 TAAR1 (0.40) NPSR1
SCHEMBL4715895 0.70 FFAR1 (0.59) GPR17NPSR1CNR1
SCHEMBL4159537 0.70 MPO (0.43) GPR17PARP1

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-2125813-A2 COMPOUNDS Glaxo Group Limited (GB) 2009-12-02 EP disclosed
WO-2008116815-A2 COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-10-02 WO disclosed