SCHEMBL4747755

SCHEMBL4747755

N#Cc1ccc(-n2nc(C(F)(F)F)c3c2CCCC3)cn1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 16/20 0.54
CYP2C9 P11712 7/20 0.54
CYP1A2 P05177 6/20 0.54
CYP2D6 P10635 4/20 0.54
GAA P10253 1/20 0.53
CYP2C19 P33261 2/20 0.52

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
SCHEMBL3136758 0.82 GRIA2 (0.62) GRIA2CYP2C9CYP1A2CYP2D6GAA
SCHEMBL4743369 0.78 GRIA2 (0.55) GRIA2CYP2C9CYP1A2CYP2D6GAA
SCHEMBL4747777 0.78 GRIA2 (0.57) GRIA2CYP2C9CYP1A2CYP2D6GAA
SCHEMBL4744374 0.78 GRIA2 (0.58) GRIA2CYP2C9CYP1A2CYP2D6GAA
SCHEMBL3134894 0.78 GRIA2 (0.63) GRIA2CYP2C9CYP1A2CYP2D6GAA
SCHEMBL3144233 0.75 GRIA2 (0.66) GRIA2CYP2C9CYP1A2CYP2D6GAA
SCHEMBL3129902 0.75 GRIA2 (0.66) GRIA2CYP2C9CYP1A2CYP2D6GAA
SCHEMBL4745662 0.74 GRIA2 (0.60) GRIA2CYP2C9CYP1A2CYP2D6GAA
SCHEMBL8168924 0.74 GRIA2 (0.72) GRIA2CYP2C9CYP1A2CYP2D6GAA
SCHEMBL8164481 0.74 GRIA2 (0.69) GRIA2CYP2C9CYP1A2CYP2D6GAA

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
WO-2008110566-A1 COMPOUNDS WHICH POTENTIATE AMPA RECEPTOR AND USES THEREOF IN MEDICINE GLAXO GROUP LIMITED (GB) 2008-09-18 WO disclosed
WO-2008110566-A1 COMPOUNDS WHICH POTENTIATE AMPA RECEPTOR AND USES THEREOF IN MEDICINE GLAXO GROUP LIMITED (GB) 2008-09-18 WO disclosed