SCHEMBL4947252

SCHEMBL4947252

CN1C=CCC(C=O)=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
SCHEMBL9334339 0.74
SCHEMBL9337168 0.74 MEN1 (0.33)
SCHEMBL8141605 0.67
SCHEMBL19629212 0.65 MEN1 (0.33)
SCHEMBL878822 0.64
SCHEMBL14111830 0.62
SCHEMBL10964925 0.62
SCHEMBL19625984 0.60
SCHEMBL826097 0.58
SCHEMBL6444775 0.57

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7199105-B2 Lincomycin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS, INC. (US) 2007-04-03 US claimed
US-5763431-A MODIFIED NEUROACTIVE STEROID JACKSON MEYER B (US) 1998-06-09 US claimed
US-RE35517-E PROGESTERONE DERIVATIVES UNIVERSITY OF SOUTHERN CALIFORNIA (US) 1997-05-20 US claimed
WO-1995005826-A1 METHOD FOR REGULATING NEUROPEPTIDE HORMONE SECRETION JACKSON MEYER B (US) 1995-03-02 WO claimed
CN-1090493-A diuretic BOEHRINGER INGELHEIM KG (DE) 1994-08-10 CN claimed
US-5208227-A Stress relieving and anxiety modulators UNIVERSITY OF SOUTHERN CALIFORNIA (US) 1993-05-04 US claimed
US-5120723-A Alleviate stress, anxiety, seizures UNIVERSITY OF SOUTHERN CALIFORNIA (US) 1992-06-09 US claimed
EP-0458312-A1 Novel cyclobutane derivatives Nippon Kayaku Kabushiki Kaisha (JP) 1991-11-27 EP claimed
JP-4297463-A None JP disclosed
US-8658677-B2 Pyridyl-2-methylamino compounds, compositions and uses thereof ARIA NEUROSCIENCES INC. (US) 2014-02-25 US disclosed
US-20130079376-A1 PYRIDYL-2-METHYLAMINO COMPOUNDS, COMPOSITIONS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-03-28 US disclosed
US-20100210695-A1 COMPOSITIONS AND METHODS FOR TREATING SKIN DISORDERS DARA BIOSCIENCES, INC. (US) 2010-08-19 US disclosed
US-20080311036-A1 Imaging of Neural and Organ Injury or Damage UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2008-12-18 US disclosed
US-20080161395-A1 Derivatives of Aminobutanoic Acid Inhibiting Cpt SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2008-07-03 US disclosed
US-5116861-A Treatment of Hypertension and Angina Pectoris TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-05-26 US disclosed
EP-0458312-A1 Novel cyclobutane derivatives Nippon Kayaku Kabushiki Kaisha (JP) 1991-11-27 EP disclosed
EP-0458312-A1 Novel cyclobutane derivatives Nippon Kayaku Kabushiki Kaisha (JP) 1991-11-27 EP disclosed
EP-0412699-A2 Nitrosothiol derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1991-02-13 EP disclosed
US-4804665-A NERVOUS SYSTEM DISORDERS; COGNITION ACTIVATORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-02-14 US disclosed
EP-0273659-A1 Azaspiro compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1988-07-06 EP disclosed