SCHEMBL30133111

SCHEMBL30133111

O=C1CN=C(c2c(F)cccc2F)c2c(ccc(Br)c2Cl)N1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 8/20 0.49
GABRA5 P31644 8/20 0.49
GABRA3 P34903 8/20 0.49
GABRA2 P47869 8/20 0.49
GABRB2 P47870 6/20 0.49
LMNA P02545 1/20 0.49
GABRG2 P18507 6/20 0.45
GABRB3 P28472 6/20 0.45
GABRP O00591 3/20 0.45
GABRD O14764 3/20 0.45
GABRB1 P18505 3/20 0.45
GABRA4 P48169 3/20 0.45
GABRE P78334 3/20 0.45
GABRA6 Q16445 3/20 0.45
GABRG1 Q8N1C3 3/20 0.45
GABRG3 Q99928 3/20 0.45
GABRQ Q9UN88 3/20 0.45
KMT2A Q03164 2/20 0.43
CNR1 P21554 1/20 0.41
NTSR1 P30989 1/20 0.41

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
SCHEMBL23881540 1.00 GABRA1 (0.49) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL23927144 0.94 GABRA1 (0.51) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL30202083 0.94 GABRA1 (0.51) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL23881521 0.88 GABRA1 (0.62) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL30203044 0.88 GABRA1 (0.62) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL23927197 0.87 LMNA (0.51) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL23927152 0.87 GABRA1 (0.51) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL23881519 0.85 CHRM1 (0.49) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL25122961 0.85 GABRA1 (0.49) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL23881526 0.85 LMNA (0.49) GABRA1GABRA5GABRA3GABRA2GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4426705-A1 CYCLOHEPTA-THIENO-DIAZEPINE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF THE GABA A GAMMA1 RECEPTOR F. Hoffmann-La Roche AG (CH) 2024-09-11 EP disclosed
EP-4408848-A1 NEW BENZODIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAM F. Hoffmann-La Roche AG (CH) 2024-08-07 EP disclosed
EP-4405043-A1 BENZODIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAM F. Hoffmann-La Roche AG (CH) 2024-07-31 EP disclosed
EP-4405356-A1 PYRIDO DIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAM F. Hoffmann-La Roche AG (CH) 2024-07-31 EP disclosed
EP-4380940-A1 NEW CYCLOPENTA-THIENO-DIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAM F. Hoffmann-La Roche AG (CH) 2024-06-12 EP disclosed
CN-118055923-A Benzodiazepine derivatives as positive allosteric modulators of the GABAA γ1 receptor 豪夫迈·罗氏有限公司 2024-05-17 CN disclosed
CN-118043326-A Benzodiazepine derivatives as GABAA γ1 PAM 豪夫迈·罗氏有限公司 2024-05-14 CN disclosed
CN-118019745-A Cyclohepta-thieno-diazapine derivatives as positive allosteric modulators of the GABAA gamma 1 receptor 豪夫迈·罗氏有限公司 2024-05-10 CN disclosed
CN-118019742-A Novel benzodiazepine derivatives as GABA Aγ1 PAM 豪夫迈·罗氏有限公司 2024-05-10 CN disclosed
CN-117881684-A Novel cyclopenta-thieno-diazepine derivatives as GABAA gamma 1 PAM 豪夫迈·罗氏有限公司 2024-04-12 CN disclosed
WO-2023057415-A1 BENZODIAZEPINE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF THE GABA A GAMMA1 RECEPTOR F. HOFFMANN-LA ROCHE AG (CH) 2023-04-13 WO disclosed
WO-2023057423-A1 CYCLOHEPTA-THIENO-DIAZEPINE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF THE GABA A GAMMA1 RECEPTOR F. HOFFMANN-LA ROCHE AG (CH) 2023-04-13 WO disclosed
WO-2023052312-A1 NEW BENZODIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAM F. HOFFMANN-LA ROCHE AG (CH) 2023-04-06 WO disclosed
WO-2023046817-A1 BENZODIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAM F. HOFFMANN-LA ROCHE AG (CH) 2023-03-30 WO disclosed
WO-2023046877-A1 PYRIDO DIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAM F. HOFFMANN-LA ROCHE AG (CH) 2023-03-30 WO disclosed
EP-4139310-A1 BENZODIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAM F. Hoffmann-La Roche AG (CH) 2023-03-01 EP disclosed
WO-2023012130-A1 NEW CYCLOPENTA-THIENO-DIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAM F. HOFFMANN-LA ROCHE AG (CH) 2023-02-09 WO disclosed
EP-4126869-A1 BENZODIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAMS F. Hoffmann-La Roche AG (CH) 2023-02-08 EP disclosed