SCHEMBL5771224

SCHEMBL5771224

CC(C)(O)c1ccn2c(-c3cccc(-c4ccc(F)cc4C#N)n3)cnc2n1

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 20/20 0.70
GABRG2 P18507 20/20 0.70
GABRB3 P28472 20/20 0.70
GABRA3 P34903 19/20 0.70
GABRA5 P31644 13/20 0.70
GABRA2 P47869 4/20 0.70

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
SCHEMBL5769631 0.93 GABRA1 (0.62) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL2657508 0.92 GABRA1 (0.64) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL5768854 0.88 GABRA1 (0.69) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL5772030 0.87 GABRA1 (0.77) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL7225161 0.87 GABRA1 (0.78) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL5771087 0.85 GABRA1 (0.58) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL6216804 0.82 GABRA1 (1.00) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL2660283 0.82 GABRA1 (0.57) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL6218146 0.82 GABRA1 (0.74) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL5768585 0.82 GABRA1 (0.78) 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-1383768-B1 IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2006-09-06 EP claimed
EP-1383768-B1 IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2006-09-06 EP disclosed