SCHEMBL7340213

SCHEMBL7340213

COC(=O)c1coc(-c2ncn3c2CN(C)C(=O)c2c(Cl)cccc2-3)n1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.55
GABRG2 P18507 2/20 0.55
GABRB3 P28472 2/20 0.55
GABRA5 P31644 2/20 0.55
GABRA3 P34903 2/20 0.55
GABRA2 P47869 2/20 0.55
GABRA6 Q16445 2/20 0.55
GABRP O00591 1/20 0.49
GABRD O14764 1/20 0.49
GABRB1 P18505 1/20 0.49
GRM5 P41594 1/20 0.49
GABRB2 P47870 1/20 0.49
GABRA4 P48169 1/20 0.49
GABRE P78334 1/20 0.49
GABRG1 Q8N1C3 1/20 0.49
GABRG3 Q99928 1/20 0.49
GABRQ Q9UN88 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
SCHEMBL7366176 0.86 GABRA1 (0.54) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7334150 0.82 GABRA1 (0.58) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7331908 0.80 ALDH1A1 (0.55) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7342391 0.78 GABRA1 (0.58) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7338360 0.77 GABRA1 (0.53) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10625344 0.77 GABRA1 (0.66) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10627899 0.76 GABRA1 (0.60) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10625644 0.75 GABRG2 (0.61) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7317554 0.75 GABRA1 (0.63) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9372064 0.75 GABRA1 (0.63) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1046519-C Oxazolyl-and thiazolylimidazo- and thienodiazepines and their use as medicaments HOFFMANN LA ROCHE (CH) 1999-11-17 CN disclosed
CN-1167487-A Oxazolyl-and thiazolyl-imidazo-benzo-and thienodiazepine * and their use as pharmaceuticals HOFFMANN LA ROCHE (CH) 1997-12-10 CN disclosed
EP-0790999-A1 OXAZOLYL- AND THIAZOLYLIMIDAZO-BENZO- AND THIENODIAZEPINES AND THEIR USE AS MEDICAMENTS F. HOFFMANN-LA ROCHE AG (CH) 1997-08-27 EP disclosed
WO-1996015129-A1 OXAZOLYL- AND THIAZOLYLIMIDAZO-BENZO- AND THIENODIAZEPINES AND THEIR USE AS MEDICAMENTS F. HOFFMANN-LA ROCHE AG (CH) 1996-05-23 WO disclosed