SCHEMBL7001291

SCHEMBL7001291

Cn1ncnc1COc1nc2c(-c3ccccc3)nncn2c1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 20/20 0.45
GABRB3 P28472 20/20 0.45
GABRA3 P34903 20/20 0.45
GABRA1 P14867 8/20 0.45
GABRA2 P47869 5/20 0.45
GABRA5 P31644 2/20 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
SCHEMBL2659419 0.94 GABRG2 (0.45) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL2658287 0.91 GABRG2 (0.47) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL2658306 0.89 GABRG2 (0.52) GABRG2GABRB3GABRA3GABRA1
SCHEMBL6998736 0.89 GABRG2 (0.48) GABRG2GABRB3GABRA3GABRA1GABRA5
SCHEMBL6997319 0.86 GABRG2 (0.49) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL6999782 0.77 GABRG2 (0.46) GABRG2GABRB3GABRA3GABRA1
SCHEMBL2659167 0.74 GABRG2 (0.43) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL7197657 0.72 GABRG2 (0.54) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL6994995 0.71 GABRG2 (0.52) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL2659827 0.70 GABRG2 (0.42) GABRG2GABRB3GABRA3GABRA1GABRA2

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-1212324-B1 IMIDAZO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2003-10-29 EP claimed
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 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