SCHEMBL4744352

SCHEMBL4744352

O=C(c1ccc(-n2nc(C(F)(F)F)c3c2CCCC3)cn1)N1CCC(O)C1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 16/20 0.56
CYP2D6 P10635 5/20 0.56
CYP2C9 P11712 9/20 0.52
CYP1A2 P05177 6/20 0.51
CYP2C19 P33261 3/20 0.50
CYP3A4 P08684 2/20 0.50
GAA P10253 1/20 0.50

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
SCHEMBL8168924 0.87 GRIA2 (0.72) GRIA2CYP2D6CYP2C9CYP1A2CYP2C19
SCHEMBL8164481 0.87 GRIA2 (0.69) GRIA2CYP2D6CYP2C9CYP1A2CYP2C19
SCHEMBL3139685 0.86 GRIA2 (0.75) GRIA2CYP2D6CYP2C9CYP1A2CYP2C19
SCHEMBL3143259 0.78 GRIA2 (0.78) GRIA2CYP2D6CYP2C9CYP1A2CYP2C19
SCHEMBL4745662 0.77 GRIA2 (0.60) GRIA2CYP2D6CYP2C9CYP1A2CYP2C19
SCHEMBL1423620 0.74 GRIA2 (0.65) GRIA2CYP2D6CYP2C9CYP1A2CYP2C19
SCHEMBL8163361 0.74 GRIA2 (0.61) GRIA2CYP2D6CYP2C9CYP1A2CYP2C19
SCHEMBL3135160 0.74 GRIA2 (0.70) GRIA2CYP2D6CYP2C9CYP1A2CYP2C19
SCHEMBL8169119 0.72 GRIA2 (0.62) GRIA2CYP2D6CYP2C9CYP1A2CYP2C19
SCHEMBL3127012 0.72 GRIA2 (0.95) GRIA2CYP2D6CYP2C9CYP1A2CYP2C19

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