SCHEMBL7397331

SCHEMBL7397331

CCCN(CCC)Cc1nc(-c2ncn3c2CN(C)C(=O)c2c-3ccc(F)c2Cl)no1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.49
GABRG2 P18507 1/20 0.49
GABRB3 P28472 1/20 0.49
GABRA5 P31644 1/20 0.49
GABRA3 P34903 1/20 0.49
GABRA2 P47869 1/20 0.49
GABRA6 Q16445 1/20 0.49

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
Hydrochloric Acid SCHEMBL7392015 0.99 GABRA1 (0.49) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7391979 0.94 GABRA1 (0.51) GABRA1GABRG2GABRB3GABRA5GABRA3
Hydrochloric Acid SCHEMBL8871988 0.94 GABRA1 (0.51) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7387165 0.89 GABRA1 (0.53) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7393023 0.88 GABRA1 (0.54) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7386690 0.87 GABRA1 (0.54) GABRA1GABRG2GABRB3GABRA5GABRA3
Hydrochloric Acid SCHEMBL7429020 0.87 GABRA1 (0.53) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7393803 0.87 GABRA1 (0.66) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7397432 0.85 GABRG2 (0.58) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7395173 0.85 GABRA1 (0.41) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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