SCHEMBL7264139

SCHEMBL7264139

Cc1cccc2c1C(=O)N1CCC[C@H]1c1c(C(=O)OC(C)(C)C)ncn1-2

nearest known ligand 0.81

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 10/20 0.81
GABRB3 P28472 10/20 0.81
GABRA5 P31644 10/20 0.81
GABRA1 P14867 8/20 0.81
GABRA3 P34903 8/20 0.81
GABRA2 P47869 7/20 0.81
GABRA6 Q16445 5/20 0.81
MEN1 O00255 1/20 0.81
KMT2A Q03164 1/20 0.81
GABRA4 P48169 7/20 0.65

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
SCHEMBL7263598 0.95 GABRG2 (0.74) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL7263573 0.92 GABRG2 (0.80) GABRG2GABRB3GABRA5GABRA1GABRA3
Bretazenil SCHEMBL124595 0.90 GABRG2 (1.00) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL7265302 0.90 GABRG2 (0.80) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL7263536 0.90 GABRG2 (0.80) GABRG2GABRB3GABRA5GABRA1GABRA3
Bretazenil SCHEMBL29716315 0.90 GABRG2 (1.00) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL7263614 0.89 GABRG2 (0.79) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL7272495 0.89 GABRG2 (0.79) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL7264142 0.89 GABRG2 (0.79) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL7263551 0.89 GABRG2 (0.79) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0059391-A1 Imidazodiazepines, process for their preparation and pharmaceutical compositions containing them F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1982-09-08 EP claimed
EP-0059391-A1 Imidazodiazepines, process for their preparation and pharmaceutical compositions containing them F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1982-09-08 EP disclosed