SCHEMBL4746431

SCHEMBL4746431

O=C1CCCN1Cc1ccc(-n2nc(C(F)(F)F)c3c2CCCC3)cc1F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 18/20 1.00
CYP2C9 P11712 7/20 1.00
CYP1A2 P05177 4/20 1.00
CYP2C19 P33261 1/20 0.49
CYP2D6 P10635 2/20 0.48
GAA P10253 1/20 0.47

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
SCHEMBL4746459 0.89 GRIA2 (0.80) GRIA2CYP2C9CYP1A2CYP2C19CYP2D6
SCHEMBL1423692 0.88 GRIA2 (0.78) GRIA2CYP2C9CYP1A2CYP2C19CYP2D6
SCHEMBL1423665 0.88 GRIA2 (0.78) GRIA2CYP2C9CYP1A2CYP2C19CYP2D6
SCHEMBL1423476 0.88 GRIA2 (0.78) GRIA2CYP2C9CYP1A2CYP2C19CYP2D6
SCHEMBL1423601 0.88 GRIA2 (0.78) GRIA2CYP2C9CYP1A2CYP2C19CYP2D6
Hydrochloric Acid SCHEMBL1423687 0.87 GRIA2 (0.77) GRIA2CYP2C9CYP1A2CYP2C19CYP2D6
Hydrochloric Acid SCHEMBL1424203 0.87 GRIA2 (0.77) GRIA2CYP2C9CYP1A2CYP2C19CYP2D6
SCHEMBL4744375 0.87 GRIA2 (0.77) GRIA2CYP2C9CYP1A2CYP2C19CYP2D6
SCHEMBL3134820 0.85 GRIA2 (1.00) GRIA2CYP2C9CYP1A2CYP2C19CYP2D6
SCHEMBL1423729 0.85 GRIA2 (0.73) 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 1 patent. 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