SCHEMBL5874482

SCHEMBL5874482

O=C(/C=C\C(=O)ON1CCNCC1)ON1CCNCC1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA9 Q16790 1/20 0.37
CHKA P35790 1/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
CHRNB3 Q05901 1/20 0.34
CHRNA6 Q15825 1/20 0.34
SIGMAR1 Q99720 1/20 0.31

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
SCHEMBL5874850 1.00 CA2 (0.37) CA2CA12CA1CA9CHKA
SCHEMBL9596607 0.92 HCAR2 (0.39) CA2CA12CA1CA9CHKA
SCHEMBL9596598 0.92 HCAR2 (0.39) CA2CA12CA1CA9CHKA
SCHEMBL28719611 0.90 HCAR2 (0.38) CA2CA12CA1CA9CHKA
Water SCHEMBL28189169 0.90 HCAR2 (0.38) CA2CA12CA1CA9CHKA
SCHEMBL29040960 0.87 CA12 (0.30) CA2CA12CA1CA9
SCHEMBL29283212 0.86 HCAR2 (0.47) CA2CA12CA1CA9SIGMAR1
SCHEMBL27791412 0.84 CA2 (0.35) CA2CA12CA1CA9CHKA
SCHEMBL27670396 0.83 CA2 (0.34) CA2CA12CA1CA9CHKA
SCHEMBL27452767 0.82 SIGMAR1 (0.41) SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116507327-A Chewable formulations 礼蓝动物保健有限公司 2023-07-28 CN disclosed
CN-109115900-A The method of LC-MS/MS method measurement (E) 3,4,5- trimethoxy cinnamoyl chloride 中南粮油食品科学研究院有限公司 2019-01-01 CN disclosed
CN-108601724-A gastric retention device 克雷西奥生物科技有限公司 2018-09-28 CN disclosed
CN-108524445-A Medical composition containing poorly water soluble drugs 兴和株式会社 2018-09-14 CN disclosed
CN-103209660-B Cannula for expandable medical device W.L.戈尔及同仁股份有限公司 2016-11-02 CN disclosed
CN-104520280-B Indene derivative, its preparation and the purposes as medicine 埃斯特韦实验室有限公司 2016-09-07 CN disclosed
CN-104662021-B Novel bicyclic pyridinones 辉瑞大药厂 2016-08-24 CN disclosed
CN-102614179-B As be used for the treatment of cognitive impairment, 1-[2-(2, the 4-dimethylphenylsulfanyl)-phenyl] piperazine of the compound to serotonin reabsorption, 5-HT3 and 5-HT1A activity with combination H. LUNDHECK A/S (DK) 2015-11-25 CN disclosed
CN-102617513-B As be used for the treatment of cognitive impairment, 1-[2-(2, the 4-dimethylphenylsulfanyl)-phenyl] piperazine of the compound to serotonin reabsorption, 5-HT3 and 5-HT1A activity with combination H. LUNDHECK A/S (DK) 2015-09-23 CN disclosed
CN-104520280-A Indene derivatives, their preparation and use as medicaments ESTEVE LABOR DR 2015-04-15 CN disclosed
US-7128976-B2 Composition for film formation, method of film formation, and silica-based film JSR CORPORATION (JP) 2006-10-31 US disclosed
CN-1743302-A Arylpiperazines having 5-hydroxyl-typtamine activity LILLY CO ELI (US) 2006-03-08 CN disclosed
CN-1712398-A Diaryl amidine compound, its production, medicinal composition and use DRUG INST CHINESE ACADEMY OF M (CN) 2005-12-28 CN disclosed
CN-1227241-C Having 5-hydroxytryptamine 1AReceptor-active arylpiperazines LILLY CO ELI (US) 2005-11-16 CN disclosed
US-20030091838-A1 Composition for film formation, method of film formation, and silica-based film JSR CORPORATION (JP) 2003-05-15 US disclosed
CN-1290258-A Aryl piperazine compounds with 5-hydroxytryptamine 1A receptor activity LILLY CO ELI (US) 2001-04-04 CN disclosed
CN-1143318-A Transdermal device containing polyvinylpyrrolidone as dissolution enhancer NOVEN PHARMA (US) 1997-02-19 CN disclosed
CN-1120838-A Heterocyclic derivatives in the treatment of ischaemia and related diseases SYNTEX PHARMA LTD (GB) 1996-04-17 CN disclosed
EP-0089900-B1 NEW N-((2-OXO-1-PYRROLIDINYL)ACETYL)PIPERAZINES, THE METHODS OF PRODUCING SUCH NEW COMPOUNDS AND THEIR SALTS AS WELL AS PHARMACEUTICAL PREPARATIONS FOR THERAPEUTIC USE CONTAINING THESE COMPOUNDS OR SALTS PRODES S.A. (ES) 1985-12-27 EP disclosed
EP-0089900-A1 New N-((2-oxo-1-pyrrolidinyl)acetyl)piperazines, the methods of producing such new compounds and their salts as well as pharmaceutical preparations for therapeutic use containing these compounds or salts PRODES S.A. (ES) 1983-09-28 EP disclosed