SCHEMBL7271107

SCHEMBL7271107

CN1Cc2c(C#N)ncn2-c2ccc(F)cc2C1=O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 10/20 0.72
GABRB3 P28472 10/20 0.72
GABRA5 P31644 10/20 0.72
GABRA1 P14867 8/20 0.72
GABRA3 P34903 8/20 0.72
GABRA2 P47869 8/20 0.72
GABRA6 Q16445 7/20 0.72
GABRA4 P48169 4/20 0.72
GABRP O00591 2/20 0.72
GABRD O14764 2/20 0.72
GABRB1 P18505 2/20 0.72
GABRB2 P47870 2/20 0.72
GABRE P78334 2/20 0.72
GABRG1 Q8N1C3 2/20 0.72
GABRG3 Q99928 2/20 0.72
GABRQ Q9UN88 2/20 0.72
GRM5 P41594 1/20 0.72
MEN1 O00255 1/20 0.59
ALDH1A1 P00352 1/20 0.59
CYP1A2 P05177 1/20 0.59

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
SCHEMBL10569670 0.88 GABRG2 (0.72) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL10626578 0.87 GABRG2 (0.55) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL10572044 0.86 GABRG2 (0.76) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL7390365 0.86 GABRG2 (0.67) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL10573210 0.85 GABRG2 (0.74) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL7279375 0.83 GABRG2 (0.56) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL10570779 0.83 GABRA1 (0.70) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL10963571 0.82 GABRG2 (0.63) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL9869693 0.82 GABRG2 (0.63) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL10962583 0.82 GABRG2 (0.63) GABRG2GABRB3GABRA5GABRA1GABRA3

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0787729-B1 A process for the manufacture of imidazodiazepine derivatives HOFFMANN LA ROCHE (CH) 2001-04-18 EP claimed
EP-0787729-A2 A process for the manufacture of imidazodiazepine derivatives F. HOFFMANN-LA ROCHE AG (CH) 1997-08-06 EP claimed
US-4316839-A Imidazodiazepine derivatives HOFFMAN-LA ROCHE INC. (US) 1982-02-23 US claimed
EP-0027214-A1 Imidazodiazepine derivatives, process and intermediates for their preparation, medicaments containing them and their therapeutic application F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1981-04-22 EP claimed
EP-0672666-B1 Imidazodiazepins HOFFMANN LA ROCHE (CH) 2001-07-25 EP disclosed
EP-0787729-B1 A process for the manufacture of imidazodiazepine derivatives HOFFMANN LA ROCHE (CH) 2001-04-18 EP disclosed
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
US-5665718-A ANXIOLYTIC, ANTICONVULSANT, MUSCLE RELAXANT, SEDATIVE, HYPNOTIC AGENTS HOFFMANN-LA ROCHE INC. (US) 1997-09-09 US 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
EP-0787729-A2 A process for the manufacture of imidazodiazepine derivatives F. HOFFMANN-LA ROCHE AG (CH) 1997-08-06 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
US-4346034-A Process for preparing imidazodiazepines HOFFMANN-LA ROCHE INC. (US) 1982-08-24 US disclosed
US-4346032-A ANTIDOTES TO OVERDOSES OF BENZODIAZEPINE TRANQUILIZERS HOFFMANN-LA ROCHE INC. (US) 1982-08-24 US disclosed
US-4346035-A Process for preparing imidazodiazepines HOFFMANN-LA ROCHE INC. (US) 1982-08-24 US disclosed
US-4346036-A ALKYLATION; AMIDATION; TRANQUILIZER ANTAGONIST HOFFMANN-LA ROCHE INC. (US) 1982-08-24 US disclosed
US-4346031-A Process for preparing imidazodiazepines HOFFMANN-LA ROCHE INC. (US) 1982-08-24 US disclosed
US-4346030-A ANTIDOTES FOR OVERDOSES OF BENZODIAZEPINE TRANQUILIZERS HOFFMANN-LA ROCHE INC. (US) 1982-08-24 US disclosed
US-4316839-A Imidazodiazepine derivatives HOFFMAN-LA ROCHE INC. (US) 1982-02-23 US disclosed
EP-0027214-A1 Imidazodiazepine derivatives, process and intermediates for their preparation, medicaments containing them and their therapeutic application F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1981-04-22 EP disclosed