SCHEMBL4950481

SCHEMBL4950481

CCc1cc(C2CC2)cc2c1-n1cnc(C(=O)O)c1Cn1ncnc1-2

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 20/20 0.58
GABRB3 P28472 20/20 0.58
GABRA5 P31644 20/20 0.58

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
SCHEMBL4951018 0.85 GABRG2 (0.56) GABRG2GABRB3GABRA5
SCHEMBL4601740 0.85 GABRG2 (0.56) GABRG2GABRB3GABRA5
SCHEMBL4946718 0.81 GABRG2 (0.47) GABRG2GABRB3GABRA5
SCHEMBL4950870 0.80 GABRG2 (0.61) GABRG2GABRB3GABRA5
SCHEMBL4947515 0.80 GABRG2 (0.76) GABRG2GABRB3GABRA5
SCHEMBL4948510 0.80 GABRG2 (0.48) GABRG2GABRB3GABRA5
SCHEMBL4946797 0.80 GABRG2 (0.48) GABRG2GABRB3GABRA5
SCHEMBL4952206 0.77 GABRG2 (0.47) GABRG2GABRB3GABRA5
SCHEMBL3582760 0.74 GABRG2 (1.00) GABRG2GABRB3GABRA5
SCHEMBL3884039 0.71 GABRG2 (0.76) GABRG2GABRB3GABRA5

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-1809297-B1 IMIDAZO[1,5A]TRIAZOLO[1,5D]BENZODIAZEPINE DERIVATIVES FOR THE TREATMENT OF COGNITIVE DISORDERS HOFFMANN LA ROCHE (CH) 2008-07-30 EP claimed
EP-1809297-B1 IMIDAZO[1,5A]TRIAZOLO[1,5D]BENZODIAZEPINE DERIVATIVES FOR THE TREATMENT OF COGNITIVE DISORDERS HOFFMANN LA ROCHE (CH) 2008-07-30 EP disclosed