SCHEMBL5778308

SCHEMBL5778308

COC(=O)Oc1ccn2c(-c3ccc(F)c(-c4ccc(F)cc4C#N)c3)cnc2c1F

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 20/20 0.62
GABRG2 P18507 20/20 0.62
GABRB3 P28472 20/20 0.62
GABRA3 P34903 18/20 0.62
GABRA5 P31644 14/20 0.62
GABRA2 P47869 6/20 0.55

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
SCHEMBL2658733 0.86 GABRA1 (0.64) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL2658983 0.81 GABRA1 (0.68) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL2659281 0.80 GABRA1 (0.81) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL2658463 0.79 GABRA1 (0.68) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL5775431 0.78 GABRA1 (0.67) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL104133 0.78 GABRA1 (0.66) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL3996859 0.77 GABRA1 (0.79) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL2659309 0.77 GABRA1 (0.70) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL3996861 0.77 GABRA1 (1.00) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL3997628 0.75 GABRA1 (0.70) GABRA1GABRG2GABRB3GABRA3GABRA5

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
EP-1511747-B1 IMIDAZO-PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2006-04-12 EP claimed