SCHEMBL4564319

SCHEMBL4564319

O=[N+]([O-])c1ccc2c(c1)C(c1ccccc1Cl)=NCCN2

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.68
GABRD O14764 2/20 0.68
GABRA1 P14867 2/20 0.68
GABRB1 P18505 2/20 0.68
GABRG2 P18507 2/20 0.68
GABRB3 P28472 2/20 0.68
GABRA5 P31644 2/20 0.68
GABRA3 P34903 2/20 0.68
GABRA2 P47869 2/20 0.68
GABRB2 P47870 2/20 0.68
GABRA4 P48169 2/20 0.68
GABRE P78334 2/20 0.68
GABRA6 Q16445 2/20 0.68
GABRG1 Q8N1C3 2/20 0.68
GABRG3 Q99928 2/20 0.68
GABRQ Q9UN88 2/20 0.68
ADRA1A P35348 1/20 0.68
CCNE2 O96020 11/20 0.55
CCNE1 P24864 11/20 0.55
CDK2 P24941 11/20 0.55

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
SCHEMBL29575850 1.00 GABRP (0.68) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL11678300 0.89 GABRP (0.55) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL11757670 0.88 GABRA1 (0.53) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL11684251 0.87 GABRA1 (0.53) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL11683712 0.87 GABRA1 (0.52) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL11460474 0.85 LMNA (0.65) GABRPGABRDGABRA1GABRB1GABRG2
Clonazepam SCHEMBL13747803 0.81 GABRA1 (1.00) GABRPGABRDGABRA1GABRB1GABRG2
Clonazepam SCHEMBL29743048 0.81 GABRA1 (1.00) GABRPGABRDGABRA1GABRB1GABRG2
Clonazepam SCHEMBL38899 0.81 GABRA1 (1.00) GABRPGABRDGABRA1GABRB1GABRG2
Clonazepam SCHEMBL29369721 0.81 GABRA1 (1.00) GABRPGABRDGABRA1GABRB1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110072521-A Pharmaceutical combination comprising a T-type calcium channel blocker 爱杜西亚药品有限公司 2019-07-30 CN claimed
CN-110072521-A Pharmaceutical combination comprising a T-type calcium channel blocker 爱杜西亚药品有限公司 2019-07-30 CN disclosed
CN-108992449-A Application of the Clonazepam in preparation treatment adolescent depression disease drug 南方医科大学 2018-12-14 CN disclosed
EP-2131830-B1 PHARMACEUTICAL FORM WITH IMPEDED ABUSE GRUENENTHAL GMBH (DE) 2017-05-10 EP disclosed
EP-3151819-A1 METHODS AND COMPOSITIONS FOR INTERFERING WITH EXTRACTION OR CONVERSION OF A DRUG SUSCEPTIBLE TO ABUSE Acura Pharmaceuticals, Inc. (US) 2017-04-12 EP disclosed
WO-2015191501-A1 METHODS AND COMPOSITIONS FOR INTERFERING WITH EXTRACTION OR CONVERSION OF A DRUG SUSCEPTIBLE TO ABUSE ACURA PHARMACEUTICALS, INC. (US) 2015-12-17 WO disclosed
CN-101594868-B Pharmaceutical composition with antipsychotic, antidepressant or antiepileptic activity and reduced side effects GENE RES LAB INC US N 2012-12-12 CN disclosed
EP-2131830-A2 PHARMACEUTICAL FORM WITH IMPEDED ABUSE Grünenthal GmbH (DE) 2009-12-16 EP disclosed
CN-101594868-A Pharmaceutical composition with antipsychotic, antidepressant or antiepileptic activity and reduced side effects N GENE RES LAB INC (US) 2009-12-02 CN disclosed
WO-2008107149-A2 PHARMACEUTICAL FORM WITH IMPEDED ABUSE Grünenthal GmbH (DE) 2008-09-12 WO disclosed
CN-100415222-C Methods of using and compositions comprising dopamine reuptake inhibitors SEPRACOR INC (US) 2008-09-03 CN disclosed
EP-1765298-A1 METHOD FOR PRODUCING A SOLID DOSAGE FORM, WHICH IS SAFEGUARDED AGAINST ABUSE, WHILE USING A PLANETARY GEAR EXTRUDER GRUENENTHAL GMBH (DE) 2007-03-28 EP disclosed
WO-2006058249-A9 METHODS AND COMPOSITIONS FOR DETERRING ABUSE OF ORALLY ADMINISTERED PHARMACEUTICAL PRODUCTS ACURA PHARMACEUTICALS INC (US) 2006-07-20 WO disclosed
WO-2006002883-A1 METHOD FOR PRODUCING A SOLID DOSAGE FORM, WHICH IS SAFEGUARDED AGAINST ABUSE, WHILE USING A PLANETARY GEAR EXTRUDER Grünenthal GmbH (DE) 2006-01-12 WO disclosed
US-4044003-A Process for preparing 1,4-benzodiazepines SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1977-08-23 US disclosed