SCHEMBL7397263

SCHEMBL7397263

CCCCN(CCCC)Cc1nc(-c2ncn3c2CN(C)C(=O)c2cc(F)ccc2-3)no1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 2/20 0.48
GABRB3 P28472 2/20 0.48
GABRA5 P31644 2/20 0.48
MEN1 O00255 1/20 0.48
GABRP O00591 1/20 0.48
GABRD O14764 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
GABRA1 P14867 1/20 0.48
TSHR P16473 1/20 0.48
GABRB1 P18505 1/20 0.48
CYP2C19 P33261 1/20 0.48
GABRA3 P34903 1/20 0.48
GABRA2 P47869 1/20 0.48
GABRB2 P47870 1/20 0.48
GABRA4 P48169 1/20 0.48
GABRE P78334 1/20 0.48
KMT2A Q03164 1/20 0.48
GABRA6 Q16445 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
Hydrochloric Acid SCHEMBL7397255 0.99 GABRG2 (0.47) GABRG2GABRB3GABRA5MEN1GABRP
SCHEMBL29588949 0.95 GABRG2 (0.49) GABRG2GABRB3GABRA5MEN1GABRP
SCHEMBL7394354 0.95 GABRG2 (0.49) GABRG2GABRB3GABRA5MEN1GABRP
SCHEMBL7394322 0.93 GABRG2 (0.52) GABRG2GABRB3GABRA5MEN1GABRP
Hydrochloric Acid SCHEMBL7393584 0.92 GABRG2 (0.51) GABRG2GABRB3GABRA5MEN1GABRP
SCHEMBL7393389 0.90 GABRG2 (0.56) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL7393119 0.88
SCHEMBL7393977 0.87 GABRG2 (0.47) GABRG2GABRB3GABRA5MEN1GABRP
Hydrochloric Acid SCHEMBL8872048 0.86 GABRG2 (0.46) GABRG2GABRB3GABRA5MEN1GABRP
Hydrochloric Acid SCHEMBL7396463 0.86 GABRG2 (0.46) GABRG2GABRB3GABRA5MEN1GABRP

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