SCHEMBL2658836

SCHEMBL2658836

Fc1ccc(-c2cnc3nc(C(F)(F)F)ccn23)c(F)c1-c1ccncc1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 20/20 0.54
GABRG2 P18507 20/20 0.54
GABRB3 P28472 20/20 0.54
GABRA3 P34903 18/20 0.54
GABRA5 P31644 10/20 0.53
GABRA2 P47869 3/20 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
SCHEMBL2657650 0.88 GABRA1 (0.56) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL6215893 0.88 GABRA1 (0.70) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL6218332 0.84 GABRA1 (0.66) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL6218906 0.83 GABRA1 (0.71) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL2660203 0.81 GABRA1 (0.78) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL2657451 0.80 GABRA1 (0.60) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL6216700 0.80 GABRA1 (0.60) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL6215884 0.78 GABRA1 (0.79) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL6218159 0.77 GABRA1 (0.72) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL6216756 0.76 GABRA1 (0.64) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1381606-B1 IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2005-07-20 EP claimed
EP-1381606-B1 IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2005-07-20 EP disclosed
EP-1381606-A1 IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2004-01-21 EP disclosed
WO-2002074773-A1 IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2002-09-26 WO disclosed