SCHEMBL4950835

SCHEMBL4950835

CCNC(=O)Nc1ccc2c(c1)-c1ncnn1Cc1c(C(=O)O)ncn1-2

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 20/20 0.64
GABRB3 P28472 20/20 0.64
GABRA5 P31644 20/20 0.64
GABRA1 P14867 1/20 0.48
GABRA3 P34903 1/20 0.48
GABRA2 P47869 1/20 0.48

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
SCHEMBL3570212 0.90 GABRG2 (0.79) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL4883052 0.88 GABRG2 (0.77) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL4950821 0.87 GABRG2 (0.71) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL4948122 0.85 GABRG2 (0.79) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL4946797 0.85 GABRG2 (0.48) GABRG2GABRB3GABRA5
SCHEMBL4892858 0.84 GABRG2 (0.60) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL4948747 0.83 GABRG2 (0.61) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL4892071 0.82 GABRG2 (0.57) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL3884039 0.81 GABRG2 (0.76) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL3871120 0.80 GABRG2 (0.77) 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 1 patent. 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