Demoxepam

Demoxepam

SCHEMBL29611580

O=C1C[N+]([O-])=C(c2ccccc2)c2cc(Cl)ccc2N1

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.54
NTSR1 P30989 1/20 0.54
OPRK1 P41145 1/20 0.54
PDE4D Q08499 1/20 0.54
CYP1A2 P05177 2/20 0.47
KDM4E B2RXH2 1/20 0.45
GABRP O00591 2/20 0.44
GABRD O14764 2/20 0.44
GABRA1 P14867 2/20 0.44
GABRB1 P18505 2/20 0.44
GABRG2 P18507 2/20 0.44
GABRB3 P28472 2/20 0.44
GABRA5 P31644 2/20 0.44
GABRA3 P34903 2/20 0.44
GABRA2 P47869 2/20 0.44
GABRB2 P47870 2/20 0.44
GABRA4 P48169 2/20 0.44
GABRE P78334 2/20 0.44
GABRA6 Q16445 2/20 0.44
GABRG1 Q8N1C3 2/20 0.44

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
Demoxepam SCHEMBL78342 1.00 CNR1 (0.54) CNR1NTSR1OPRK1PDE4DCYP1A2
SCHEMBL11632406 0.87 CNR1 (0.41) CNR1NTSR1OPRK1PDE4DCYP1A2
SCHEMBL11631409 0.87 PSEN1 (0.44) CNR1NTSR1OPRK1PDE4DCYP1A2
SCHEMBL6527541 0.86 GABRA1 (0.55) CNR1NTSR1OPRK1PDE4DCYP1A2
SCHEMBL32681120 0.86 GABRA1 (0.55) CNR1NTSR1OPRK1PDE4DCYP1A2
SCHEMBL2846056 0.84 KMT2A (0.47) CYP1A2KDM4EGABRA1GABRG2GABRB3
SCHEMBL11319239 0.84 LMNA (0.57) CNR1NTSR1OPRK1PDE4DGABRP
SCHEMBL7306150 0.80 CYP1A2 (0.42) CNR1NTSR1OPRK1PDE4DCYP1A2
SCHEMBL7306143 0.80 CYP1A2 (0.42) CNR1NTSR1OPRK1PDE4DCYP1A2
Desipramine SCHEMBL7763271 0.79 CYP3A4 (0.47) CNR1NTSR1OPRK1PDE4DCYP1A2

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-113816913-B Preparation method of oxazepam intermediate 华中药业股份有限公司 2024-05-28 CN disclosed
CN-113816913-B Preparation method of oxazepam intermediate 华中药业股份有限公司 2024-05-28 CN disclosed
CN-115215809-A Preparation method of oxazepam key intermediate 华中药业股份有限公司 2022-10-21 CN disclosed
CN-112500359-B Preparation method of lorazepam intermediate 华中药业股份有限公司 2022-06-03 CN disclosed