SCHEMBL7960423

SCHEMBL7960423

Cn1ncnc1COc1nn2c(-c3cccc(O)c3)nnc2cc1C1CCC1

nearest known ligand 0.83

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 20/20 0.83
GABRB3 P28472 20/20 0.83
GABRA3 P34903 20/20 0.83
GABRA1 P14867 11/20 0.83
GABRA2 P47869 8/20 0.83
GABRA5 P31644 5/20 0.74

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
SCHEMBL220805 0.91 GABRG2 (1.00) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL2655130 0.90 GABRG2 (0.82) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL7960043 0.90 GABRG2 (0.84) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL340891 0.89 GABRG2 (1.00) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL7973855 0.88 GABRG2 (0.77) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL7972248 0.87 GABRG2 (0.82) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL7959488 0.86 GABRG2 (0.77) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL6774402 0.86 GABRG2 (0.83) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL2656796 0.85 GABRG2 (1.00) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL341094 0.85 GABRG2 (0.84) 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
US-6303605-B1 FOR THERAPY OF ANXIETY AND CONVULSIONS MERCK SHARP & DOHME LTD. (GB) 2001-10-16 US claimed
US-6303605-B1 FOR THERAPY OF ANXIETY AND CONVULSIONS MERCK SHARP & DOHME LTD. (GB) 2001-10-16 US disclosed
EP-1056746-A1 TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2000-12-06 EP disclosed
WO-1999037648-A1 TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 1999-07-29 WO disclosed