SCHEMBL4751483

SCHEMBL4751483

O=C1CCc2c(c(C(F)(F)F)nn2-c2ccc(CN3CCCC3=O)cc2)C1

nearest known ligand 0.82

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 19/20 0.82
CYP2C9 P11712 6/20 0.82
CYP1A2 P05177 5/20 0.82
CYP2C19 P33261 1/20 0.49
CYP2D6 P10635 2/20 0.46

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
SCHEMBL3134820 0.90 GRIA2 (1.00) GRIA2CYP2C9CYP1A2CYP2C19CYP2D6
SCHEMBL4753813 0.89 GRIA2 (0.98) GRIA2CYP2C9CYP1A2CYP2C19CYP2D6
SCHEMBL3126029 0.88 GRIA2 (0.96) GRIA2CYP2C9CYP1A2CYP2C19CYP2D6
SCHEMBL1423830 0.85 GRIA2 (0.85) GRIA2CYP2C9CYP1A2CYP2C19CYP2D6
SCHEMBL1424167 0.85 GRIA2 (1.00) GRIA2CYP2C9CYP1A2CYP2C19CYP2D6
SCHEMBL1423594 0.85 GRIA2 (0.77) GRIA2CYP2C9CYP1A2CYP2C19CYP2D6
SCHEMBL1423683 0.85 GRIA2 (1.00) GRIA2CYP2C9CYP1A2CYP2C19CYP2D6
SCHEMBL8085766 0.84 GRIA2 (0.76) GRIA2CYP2C9CYP1A2CYP2C19CYP2D6
SCHEMBL1423551 0.82 GRIA2 (0.77) GRIA2CYP2C9CYP1A2CYP2C19CYP2D6
SCHEMBL1423479 0.82 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-2008148832-A1 COMPOUNDS WHICH POTENTIATE AMPA RECEPTOR AND USES THEROF IN MEDICINE GLAXO GROUP LIMITED (GB) 2008-12-11 WO disclosed
WO-2008148832-A1 COMPOUNDS WHICH POTENTIATE AMPA RECEPTOR AND USES THEROF IN MEDICINE GLAXO GROUP LIMITED (GB) 2008-12-11 WO disclosed