SCHEMBL6218006

SCHEMBL6218006

N#Cc1ccccc1-c1cc(-c2cnc3ncccn23)ccc1F

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 19/20 0.70
GABRG2 P18507 19/20 0.70
GABRB3 P28472 19/20 0.70
GABRA3 P34903 18/20 0.70
GABRA5 P31644 14/20 0.70
GABRA2 P47869 4/20 0.70
BACE1 P56817 1/20 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
SCHEMBL6217573 0.85 GABRA1 (0.76) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL6216433 0.85 GABRA1 (0.70) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL6219320 0.84 GABRA1 (0.75) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL6219225 0.84 GABRA1 (0.75) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL6218199 0.84 GABRA1 (0.75) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL7226061 0.84 GABRG2 (0.70) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL6201182 0.82 GABRA1 (0.58) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL6217084 0.82 GABRA1 (0.72) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL6217859 0.82 GABRA1 (0.72) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL6216906 0.82 GABRA1 (1.00) 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 2 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