SCHEMBL2859593

SCHEMBL2859593

[CH2]c1cccc([N+]2([O-])CCCCC2)c1

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
Hydrochloric Acid SCHEMBL6979205 0.98
Hydrochloric Acid SCHEMBL5076344 0.96
SCHEMBL874303 0.79
SCHEMBL76560 0.74 LMNA (0.32)
Hydrochloric Acid SCHEMBL7459719 0.73 PABPC1 (0.32)
SCHEMBL11224081 0.72 LMNA (0.33)
SCHEMBL7561734 0.72 KMO (0.45)
SCHEMBL1828313 0.68 LMNA (0.33)
SCHEMBL4705497 0.64 LMNA (0.40)
SCHEMBL16178893 0.63 KDM1A (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0691956-A1 3-PHENYL-1,2,5,6-TETRAHYDROPYRIDINE DERIVATIVES AS SEDATIVES LABORATOIRE L. LAFON (FR) 1996-01-17 EP claimed
WO-1994022827-A1 3-PHENYL-1,2,5,6-TETRAHYDROPYRIDINE DERIVATIVES AS SEDATIVES LABORATOIRE L. LAFON (FR) 1994-10-13 WO claimed
CN-119574680-A Mass spectrum detection method for N-heterocyclic ketone and/or N-heterocyclic chiral amino compound and application thereof 北京衍微科技有限公司 2025-03-07 CN disclosed
CN-111363732-B Transaminase mutant from aspergillus terreus NIH2624 and application thereof 卡柔恩赛生物技术湖北有限公司 2023-05-23 CN disclosed
CN-111363732-A Transaminase mutant derived from aspergillus terreus NIH2624 and application thereof 重庆迪维斯生物科技有限公司 2020-07-03 CN disclosed
EP-2146961-A1 N-OXIDE AND/OR DI-N-OXIDE DERIVATIVES OF DOPAMINE RECEPTOR STABILIZERS/MODULATORS DISPLAYING IMPROVED CARDIOVASCULAR SIDE-EFFECTS PROFILES NSAB, Filial af NeuroSearch Sweden AB, Sverige (DK) 2010-01-27 EP disclosed
EP-2069331-A1 1H-INDOL-6-YL-PIPERAZIN-1-YL-METHANONE-DERIVATIVES FOR USE AS H3 RECEPTOR MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2009-06-17 EP disclosed
WO-2008127188-A1 N-OXIDE AND/OR DI-N-OXIDE DERIVATIVES OF DOPAMINE RECEPTOR STABILIZERS/MODULATORS DISPLAYING IMPROVED CARDIOVASCULAR SIDE-EFFECTS PROFILES ALLBAY AB (SE) 2008-10-23 WO disclosed
EP-1948636-A2 COMPOUNDS AND COMPOSITIONS AS LXR MODULATORS IRM LLC (BM) 2008-07-30 EP disclosed
WO-2007092065-A9 COMPOUNDS AND COMPOSITIONS AS LXR MODULATORS IRM LLC (US) 2008-05-29 WO disclosed
WO-2008015125-A1 1H-INDOL-6-YL-PIPERAZIN-1-YL-METHANONE-DERIVATIVES FOR USE AS H3 RECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2008-02-07 WO disclosed
WO-1998028270-A1 NOVEL COMPOUNDS WITH ANALGESIC EFFECT ASTRA PHARMA INC. (CA) 1998-07-02 WO disclosed
EP-0766562-A1 THERAPEUTICAL COMPOSITIONS COMPRISING 3-PHENYL-3-HYDROXYPIPERIDINES LABORATOIRE L. LAFON (FR) 1997-04-09 EP disclosed
WO-1997011697-A1 3-SPIROLACTAM, 3-SPIROAMINO, 3-SPIROLACTONE AND 3-SPIROBENZOPYRAN PIPERIDINES AND PYRROLIDINES PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1997-04-03 WO disclosed
EP-0691956-A1 3-PHENYL-1,2,5,6-TETRAHYDROPYRIDINE DERIVATIVES AS SEDATIVES LABORATOIRE L. LAFON (FR) 1996-01-17 EP disclosed
WO-1996000064-A1 THERAPEUTICAL COMPOSITIONS COMPRISING 3-PHENYL-3-HYDROXYPIPERIDINES LABORATOIRE L. LAFON (FR) 1996-01-04 WO disclosed
WO-1994022827-A1 3-PHENYL-1,2,5,6-TETRAHYDROPYRIDINE DERIVATIVES AS SEDATIVES LABORATOIRE L. LAFON (FR) 1994-10-13 WO disclosed
EP-0398413-A1 \"3,4-dehydropiperidine derivatives having psychotropic activity DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1990-11-22 EP disclosed
WO-1990006303-A1 ARYLPIPERIDINE DERIVATIVES PFIZER INC. (US) 1990-06-14 WO disclosed
EP-0001280-A2 1-N-acylated-4-O-glycosyl-6-O-glycosyl-1,3-diaminocyclitol derivatives, process for their preparation and pharmaceutical compositions containing them SHIONOGI & CO., LTD. (JP) 1979-04-04 EP disclosed