SCHEMBL7387165

SCHEMBL7387165

CCCN(CCC)Cc1nc(-c2ncn3c2CN(C)C(=O)c2c(F)cccc2-3)no1

nearest known ligand 0.80

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.53
GABRG2 P18507 1/20 0.53
GABRB3 P28472 1/20 0.53
GABRA5 P31644 1/20 0.53
GABRA3 P34903 1/20 0.53
GABRA2 P47869 1/20 0.53
GABRA6 Q16445 1/20 0.53

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
SCHEMBL7390358 0.90 GABRA1 (0.51) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7394015 0.90 GABRA1 (0.53) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7393803 0.90 GABRA1 (0.66) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7397331 0.89 GABRA1 (0.49) GABRA1GABRG2GABRB3GABRA5GABRA3
Hydrochloric Acid SCHEMBL7392015 0.88 GABRA1 (0.49) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7389913 0.86
SCHEMBL7426782 0.86 GABRA1 (0.60) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7392913 0.85 GABRA1 (0.64) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7389862 0.85 GABRA1 (0.53) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7428610 0.84 GABRA1 (0.69) GABRA1GABRG2GABRB3GABRA5GABRA3

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
EP-0672666-B1 Imidazodiazepins HOFFMANN LA ROCHE (CH) 2001-07-25 EP claimed
EP-0672666-A2 Imidazodiazepins F. Hoffmann-La Roche AG (CH) 1995-09-20 EP claimed
EP-0672666-B1 Imidazodiazepins HOFFMANN LA ROCHE (CH) 2001-07-25 EP disclosed
US-5665718-A ANXIOLYTIC, ANTICONVULSANT, MUSCLE RELAXANT, SEDATIVE, HYPNOTIC AGENTS HOFFMANN-LA ROCHE INC. (US) 1997-09-09 US disclosed
EP-0672666-A2 Imidazodiazepins F. Hoffmann-La Roche AG (CH) 1995-09-20 EP disclosed