SCHEMBL2648508

SCHEMBL2648508

Cn1ncnc1COc1nn2c(-c3ccccc3)nnc2cc1C12CCC(CC1)C2

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 20/20 0.67
GABRB3 P28472 20/20 0.67
GABRA3 P34903 20/20 0.67
GABRA1 P14867 14/20 0.67
GABRA2 P47869 11/20 0.67
GABRA5 P31644 7/20 0.57

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
SCHEMBL7868704 0.88 GABRG2 (0.56) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL340792 0.87 GABRG2 (0.73) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL341822 0.85 GABRG2 (0.71) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL342006 0.85 GABRG2 (0.71) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL2650885 0.85 GABRG2 (0.56) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL2650038 0.83 GABRG2 (0.57) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL5784176 0.82 GABRG2 (0.71) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL7860979 0.82 GABRG2 (0.64) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL7860974 0.81 GABRG2 (0.57) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL7865969 0.81 GABRA1 (0.57) 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-6303597-B1 FOR THERAPY OF ANXIETY AND CONVULSIONS MERCK SHARP & DOHME LIMITED (GB) 2001-10-16 US claimed
EP-1047697-A1 TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2000-11-02 EP claimed
WO-1999036423-A1 TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 1999-07-22 WO claimed
US-6303597-B1 FOR THERAPY OF ANXIETY AND CONVULSIONS MERCK SHARP & DOHME LIMITED (GB) 2001-10-16 US disclosed