SCHEMBL4753759

SCHEMBL4753759

O=C1CCc2c(c(C(F)(F)F)nn2-c2ccc(C(=O)N3CCCC3)cc2)C1

nearest known ligand 0.76

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 15/20 0.76
CYP2D6 P10635 4/20 0.76
CYP2C9 P11712 9/20 0.55
CYP1A2 P05177 5/20 0.55
GAA P10253 1/20 0.54
CYP2C19 P33261 3/20 0.53
CYP3A4 P08684 1/20 0.53
MEN1 O00255 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL4753841 0.86 GRIA2 (0.95) GRIA2CYP2D6CYP2C9CYP1A2GAA
SCHEMBL3129509 0.86 GRIA2 (1.00) GRIA2CYP2D6CYP2C9CYP1A2GAA
SCHEMBL3139195 0.85 GRIA2 (0.98) GRIA2CYP2D6CYP2C9CYP1A2GAA
SCHEMBL3127012 0.84 GRIA2 (0.95) GRIA2CYP2D6CYP2C9CYP1A2GAA
SCHEMBL1423653 0.82 GRIA2 (0.84) GRIA2CYP2D6CYP2C9CYP1A2GAA
SCHEMBL1423867 0.82 GRIA2 (1.00) GRIA2CYP2D6CYP2C9CYP1A2GAA
SCHEMBL1423841 0.80 GRIA2 (0.74) GRIA2CYP2D6CYP2C9CYP1A2GAA
SCHEMBL1423747 0.80 GRIA2 (0.81) GRIA2CYP2D6CYP2C9CYP1A2GAA
SCHEMBL1423623 0.80 GRIA2 (0.96) GRIA2CYP2D6CYP2C9CYP1A2GAA
SCHEMBL1423822 0.80 GRIA2 (0.74) GRIA2CYP2D6CYP2C9CYP1A2GAA

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 3 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 claimed
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