SCHEMBL4747113

SCHEMBL4747113

O=C1CCCN1Cc1ccc(-n2nc(C(F)(F)F)c3c2CCCC3)nc1

nearest known ligand 0.74

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 19/20 0.74
CYP2C9 P11712 6/20 0.74
CYP1A2 P05177 5/20 0.74
CYP2C19 P33261 1/20 0.46
CYP2D6 P10635 2/20 0.43

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
SCHEMBL4745665 0.85 GRIA2 (0.62) GRIA2CYP2C9CYP1A2CYP2C19CYP2D6
SCHEMBL3134820 0.85 GRIA2 (1.00) GRIA2CYP2C9CYP1A2CYP2C19CYP2D6
SCHEMBL4753813 0.84 GRIA2 (0.98) GRIA2CYP2C9CYP1A2CYP2C19CYP2D6
SCHEMBL3126029 0.83 GRIA2 (0.96) GRIA2CYP2C9CYP1A2CYP2C19CYP2D6
SCHEMBL4744138 0.80 GRIA2 (0.76) GRIA2CYP2C9CYP1A2CYP2C19CYP2D6
SCHEMBL4744366 0.80 GRIA2 (0.72) GRIA2CYP2C9CYP1A2CYP2C19CYP2D6
SCHEMBL3129977 0.77 GRIA2 (0.80) GRIA2CYP2C9CYP1A2CYP2C19CYP2D6
SCHEMBL4744375 0.76 GRIA2 (0.77) GRIA2CYP2C9CYP1A2CYP2C19CYP2D6
SCHEMBL4751483 0.76 GRIA2 (0.82) GRIA2CYP2C9CYP1A2CYP2C19CYP2D6
SCHEMBL4746431 0.76 GRIA2 (1.00) GRIA2CYP2C9CYP1A2CYP2C19CYP2D6

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