SCHEMBL6997755

SCHEMBL6997755

Cc1nnc(-c2ccccc2F)c2nc(OCc3ncnn3C)c(-c3ccccc3F)n12

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 20/20 0.50
GABRB3 P28472 20/20 0.50
GABRA3 P34903 20/20 0.50
GABRA1 P14867 1/20 0.48

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
SCHEMBL6994995 0.93 GABRG2 (0.52) GABRG2GABRB3GABRA3GABRA1
SCHEMBL6998547 0.85 GABRG2 (0.48) GABRG2GABRB3GABRA3GABRA1
SCHEMBL6994991 0.84 GABRG2 (0.47) GABRG2GABRB3GABRA3GABRA1
SCHEMBL7000853 0.82 GABRG2 (0.48) GABRG2GABRB3GABRA3GABRA1
SCHEMBL2658306 0.78 GABRG2 (0.52) GABRG2GABRB3GABRA3GABRA1
SCHEMBL2659167 0.77 GABRG2 (0.43) GABRG2GABRB3GABRA3GABRA1
SCHEMBL6999782 0.76 GABRG2 (0.46) GABRG2GABRB3GABRA3GABRA1
SCHEMBL2657940 0.74 GABRG2 (0.53) GABRG2GABRB3GABRA3GABRA1
SCHEMBL6996337 0.74 GABRG2 (0.46) GABRG2GABRB3GABRA3GABRA1
SCHEMBL7000849 0.73 GABRG2 (0.45) GABRG2GABRB3GABRA3GABRA1

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
EP-1212324-B1 IMIDAZO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2003-10-29 EP claimed
EP-1212324-B1 IMIDAZO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2003-10-29 EP disclosed
US-6608062-B1 Ligands for gamma-aminobutyric acid receptors; treatment and/or prevention of central nervous system disorders, including anxiety MERCK SHARP & DOHME LTD. 2003-08-19 US disclosed