SCHEMBL4933588

SCHEMBL4933588

COCCc1cc2c(cc1Br)-c1ncnn1Cc1cncn1-2

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 20/20 0.53
GABRB3 P28472 20/20 0.53
GABRA5 P31644 20/20 0.53
GABRA1 P14867 4/20 0.39
GABRA3 P34903 4/20 0.39
GABRA2 P47869 4/20 0.39

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
SCHEMBL4951761 0.79 GABRG2 (0.56) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL3870304 0.74 GABRG2 (0.74) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL3871728 0.73 GABRG2 (0.71) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL3871685 0.72 GABRG2 (0.77) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL3878085 0.67 GABRG2 (0.67) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL3871361 0.67 GABRG2 (0.64) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL5894375 0.66 GABRG2 (0.67) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL5894363 0.64 GABRG2 (0.50) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL3570540 0.62 GABRG2 (0.83) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL2824502 0.60 GABRG2 (0.70) GABRG2GABRB3GABRA5GABRA1GABRA3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2008515941-A 2008-05-15 JP claimed
EP-1809297-A1 IMIDAZO[1,5A]TRIAZOLO[1,5D]BENZODIAZEPINE DERIVATIVES FOR THE TREATMENT OF COGNITIVE DISORDERS F. Hoffmann-Roche AG (CH) 2007-07-25 EP claimed
WO-2006040038-A1 IMIDAZO [1, 5-A]TRIAZOLO[1, 5-D]BENZODIAZEPINE DERIVATIVES FOR THE TREATMENT OF COGNITIVE DISORDERS F.HOFFMANN-LA ROCHE AG (CH) 2006-04-20 WO claimed
EP-1809297-A1 IMIDAZO[1,5A]TRIAZOLO[1,5D]BENZODIAZEPINE DERIVATIVES FOR THE TREATMENT OF COGNITIVE DISORDERS F. Hoffmann-Roche AG (CH) 2007-07-25 EP disclosed
WO-2006040038-A1 IMIDAZO [1, 5-A]TRIAZOLO[1, 5-D]BENZODIAZEPINE DERIVATIVES FOR THE TREATMENT OF COGNITIVE DISORDERS F.HOFFMANN-LA ROCHE AG (CH) 2006-04-20 WO disclosed