SCHEMBL6219802

SCHEMBL6219802

CC(C)(O)c1ccn2c(-c3ccc(F)c(-c4cccnn4)c3)cnc2n1

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 20/20 0.74
GABRG2 P18507 20/20 0.74
GABRB3 P28472 20/20 0.74
GABRA3 P34903 20/20 0.74
GABRA5 P31644 18/20 0.74
GABRA2 P47869 7/20 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
SCHEMBL6218770 0.89 GABRA1 (0.64) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL30420440 0.85 GABRA1 (1.00) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL6217336 0.85 GABRA1 (1.00) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL6215542 0.85 GABRA1 (0.84) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL6201383 0.85 GABRA1 (0.74) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL6216069 0.84 GABRA1 (1.00) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL6215485 0.84 GABRA1 (0.77) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL6216908 0.83 GABRA1 (1.00) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL6218788 0.83 GABRA1 (1.00) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL6217581 0.80 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