SCHEMBL3378262

SCHEMBL3378262

Cc1cccc2c[c]oc12

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.39
MAOA P21397 3/20 0.39
ADORA3 P0DMS8 5/20 0.39
ADORA2A P29274 3/20 0.39
ADORA1 P30542 2/20 0.39
CYP2A6 P11509 3/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP1A2 P05177 4/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TRPA1 O75762 1/20 0.33
ATM Q13315 1/20 0.33

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
SCHEMBL4622015 0.83 ADORA3 (0.37) MAOBMAOAADORA3ADORA2AADORA1
SCHEMBL514334 0.74 CA12 (0.35)
SCHEMBL767227 0.74 ALDH1A1 (0.40) MAOBMAOAADORA3ADORA2AADORA1
SCHEMBL5310084 0.74 NPC1 (0.39) ALDH1A1CYP1A2HPGDHSD17B10
SCHEMBL3090062 0.74 NPC1 (0.37) ADORA3ALDH1A1
SCHEMBL315654 0.74 CYP2A6 (0.47) MAOBADORA3ADORA2AADORA1CYP2A6
SCHEMBL3093044 0.70 CYP1A2 (0.33) CYP2A6CYP1A2
SCHEMBL767336 0.70 ADORA3 (0.47) ADORA3ADORA2AADORA1CYP2A6ALDH1A1
SCHEMBL2517288 0.70 ALDH1A1 (0.46) ADORA1CYP2A6ALDH1A1CYP1A2HPGD
SCHEMBL6294406 0.70 NUDT1 (0.37) CYP2A6CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5401738-A Angiotensin antagonist, hypotensive, aldosteronism, cardiac insufficiency MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER (DE) 1995-03-28 US claimed
CN-109311844-B Triazine compound, method for producing same, and organic electroluminescent element containing same as constituent component 东曹株式会社 2021-07-20 CN disclosed
CN-112912372-A Cyclic azine compound, material for organic electroluminescent element, electron transport material for organic electroluminescent element, and organic electroluminescent element 东曹株式会社 2021-06-04 CN disclosed
WO-2020085319-A1 CYCLIC AZINE COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ELECTRON TRANSPORT MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, AND ORGANIC ELECTROLUMINESCENT ELEMENT 東ソー株式会社 2020-04-30 WO disclosed
WO-2019163959-A1 CYCLIC AZINE COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCNET ELEMENT, AND ELECTRON-TRANSPORTING MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT 東ソー株式会社 2019-08-29 WO disclosed
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
EP-1364946-B1 ISOXAZOLINE DERIVATIVE AND HERBICIDE COMPRISING THE SAME AS ACTIVE INGREDIENT KUMIAI CHEMICAL INDUSTRY CO (JP) 2010-11-24 EP disclosed
EP-2186410-A1 Isoxazoline derivative and herbicide comprising the same as active ingredient KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2010-05-19 EP disclosed
EP-0595151-A2 Imidazopyridine derivates as antagonists of angiotensin II MERCK PATENT GmbH (DE) 1994-05-04 EP disclosed
EP-0589201-A1 Di- and triazindeones MERCK PATENT GmbH (DE) 1994-03-30 EP disclosed
CN-1082542-A Benzimidizole derivatives MERCK PATENT GMBH (DE) 1994-02-23 CN disclosed
CN-1082045-A Imidazopyridine MERCK PATENT GMBH (DE) 1994-02-16 CN disclosed
EP-0574787-A2 Benzimidazole derivatives as angiotensin II antagonists MERCK PATENT GmbH (DE) 1993-12-22 EP disclosed
EP-0574846-A2 Imidazopyridines as angiotensin II antagonistes MERCK PATENT GmbH (DE) 1993-12-22 EP disclosed
EP-0564960-A1 Imidazopyridines as angiotensin II antagonists MERCK PATENT GmbH (DE) 1993-10-13 EP disclosed
US-5242928-A Angiotensin II antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-09-07 US disclosed
EP-0547514-A2 Imidazopyridine derivatives with angiotensin-II antagonist properties MERCK PATENT GmbH (DE) 1993-06-23 EP disclosed
EP-0480795-A1 Benzofuran derivatives, procedure of their preparation, novel intermediates obtained, and their application as pesticides ROUSSEL-UCLAF (FR) 1992-04-15 EP disclosed