SCHEMBL7438288

SCHEMBL7438288

NC(=O)c1ncn2c1[C@@H]1CCN1C(=O)c1c(Br)cccc1-2

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 10/20 0.66
GABRB3 P28472 10/20 0.66
GABRA5 P31644 10/20 0.66
GABRA3 P34903 10/20 0.66
GABRA1 P14867 9/20 0.66
GABRA2 P47869 8/20 0.66
GABRA6 Q16445 6/20 0.66
MEN1 O00255 1/20 0.66
KMT2A Q03164 1/20 0.66
GABRA4 P48169 3/20 0.42
PARP1 P09874 1/20 0.39
PARP2 Q9UGN5 1/20 0.39

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
SCHEMBL7392298 0.94 GABRG2 (0.75) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL7395827 0.91 GABRG2 (0.62) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL7394197 0.90 GABRG2 (0.67) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL7393134 0.89 GABRG2 (0.60) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL7397158 0.87 GABRA1 (0.51) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL7387671 0.85 GABRG2 (0.53) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL8768403 0.84 GABRG2 (0.76) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL7304650 0.84 GABRG2 (0.76) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL7271384 0.84 GABRG2 (0.91) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL7394075 0.83 GABRG2 (0.68) GABRG2GABRB3GABRA5GABRA3GABRA1

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