SCHEMBL7397158

SCHEMBL7397158

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

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 5/20 0.51
GABRG2 P18507 5/20 0.51
GABRB3 P28472 5/20 0.51
GABRA5 P31644 5/20 0.51
GABRA3 P34903 5/20 0.51
GABRA2 P47869 4/20 0.51
GABRA6 Q16445 3/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51

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
SCHEMBL9372231 0.94 GABRG2 (0.58) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8768353 0.90 GABRA1 (0.52) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7433706 0.90 GABRA1 (0.52) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8871158 0.89 GABRA1 (0.49) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7387921 0.89 GABRA1 (0.47) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7438288 0.87 GABRG2 (0.66) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10625617 0.85 GABRG2 (0.56) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7387671 0.85 GABRG2 (0.53) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7328484 0.84 GABRG2 (0.59) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL11031575 0.84 GABRA1 (0.65) 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 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
US-4775671-A ANXIOLYTIC AGENTS, ANTICONVULSANTS, SEDATIVES, MUSCLE RELAXANTS HOFFMANN-LA ROCHE INC. (US) 1988-10-04 US disclosed
EP-0150040-A2 Imidazodiazepine derivatives F. HOFFMANN-LA ROCHE AG (CH) 1985-07-31 EP disclosed