SCHEMBL7370408

SCHEMBL7370408

O=[N+]([O-])c1ccc2c(c1)C(c1ccccc1F)=NCc1nc(CCl)cn1-2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 5/20 0.59
GABRA5 P31644 5/20 0.59
GABRA3 P34903 5/20 0.59
GABRG2 P18507 4/20 0.59
GABRB3 P28472 4/20 0.59
GABRA2 P47869 4/20 0.59
GABRB2 P47870 4/20 0.59
OPRK1 P41145 3/20 0.59
GHSR Q92847 2/20 0.59
CCKBR P32239 1/20 0.59
MC3R P41968 1/20 0.59
LMNA P02545 2/20 0.42
PTAFR P25105 6/20 0.40
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRB1 P18505 1/20 0.40
ADRA1A P35348 1/20 0.40
GABRA4 P48169 1/20 0.40
GABRE P78334 1/20 0.40
GABRA6 Q16445 1/20 0.40

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
SCHEMBL7374772 0.90 GABRA1 (0.59) GABRA1GABRA5GABRA3GABRG2GABRB3
SCHEMBL7375823 0.89 GABRA1 (0.52) GABRA1GABRA5GABRA3GABRG2GABRB3
SCHEMBL7373833 0.87 LMNA (0.57) GABRA1GABRA5GABRA3GABRG2GABRB3
SCHEMBL11831310 0.86 GABRA1 (0.64) GABRA1GABRA5GABRA3GABRG2GABRB3
SCHEMBL7951215 0.83 PTAFR (0.57) GABRA1GABRA5GABRA3GABRG2GABRB3
SCHEMBL7373538 0.81 GABRA1 (0.51) GABRA1GABRA5GABRA3GABRG2GABRB3
SCHEMBL8933497 0.81 PTAFR (0.41) GABRA1GABRA5GABRA3GABRG2GABRB3
SCHEMBL11826404 0.80 GABRA3 (0.63) GABRA1GABRA5GABRA3GABRG2GABRB3
SCHEMBL7380036 0.77 LMNA (0.57) GABRA1GABRA5GABRA3GABRG2GABRB3
SCHEMBL11829874 0.77 GABRA1 (0.53) GABRA1GABRA5GABRA3GABRG2GABRB3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0801651-B1 HYDROXYMETHYLIMIDAZODIAZEPINES AND THEIR ESTERS HOFFMANN LA ROCHE (CH) 2001-07-11 EP disclosed
US-6174881-B1 USED AS ANXIOLYTIC AND/OR ANTICONVULSANT AND/OR MUSCLE RELAXANT AGENTS; SEDATIVES OR HYPNOSIS; WATER-SOLUBLE AMINE SALTS; FAST-ACTING HOFFMAN-LA ROCHE INC. 2001-01-16 US disclosed
EP-0801651-A1 HYDROXYMETHYLIMIDAZODIAZEPINES AND THEIR ESTERS F. HOFFMANN-LA ROCHE AG (CH) 1997-10-22 EP disclosed
WO-1996020941-A1 HYDROXYMETHYLIMIDAZODIAZEPINES AND THEIR ESTERS F. HOFFMANN-LA ROCHE AG (CH) 1996-07-11 WO disclosed