SCHEMBL4957494

SCHEMBL4957494

C=CC([NH])CC

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
SCHEMBL4961706 0.75
SCHEMBL627382 0.69
SCHEMBL10466121 0.67
SCHEMBL9792746 0.65 TSHR (0.32)
SCHEMBL24538 0.65
SCHEMBL21375 0.65
SCHEMBL9207473 0.63
SCHEMBL9205306 0.63
SCHEMBL1453461 0.63
SCHEMBL10775176 0.63

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001041763-A1 TREATMENT OF ADDICTION DISORDERS UNIVERSITY OF CINCINNATI (US) 2001-06-14 WO claimed
US-20080089859-A1 ADMINISTRATION OF SLEEP RESTORATIVE AGENTS HOLMAN ANDREW 2008-04-17 US disclosed
EP-1091946-B1 NEW 2-AMINOTHIAZOL-FUSED 2-AMINOINDANS AND 2-AMINOTETRALINS AND THEIR USE WIKSTROEM HAKAN VILHELM (NL) 2004-03-17 EP disclosed
EP-1311251-A2 USE OF DOPAMINE D2/D3 RECEPTOR AGONISTS TO TREAT FIBROMYALGIA Holman, Andrew J. (US) 2003-05-21 EP disclosed
US-20020165246-A1 Administration of sleep restorative agents HOLMAN ANDREW (US) 2002-11-07 US disclosed
WO-2002069974-A1 ADMINISTRATION OF SLEEP RESTORATIVE AGENTS HOLMAN ANDREW (US) 2002-09-12 WO disclosed
WO-2002005797-A2 USE OF DOPAMINE D2/D3 RECEPTOR AGONISTS TO TREAT FIBROMYALGIA HOLMAN ANDREW J (US) 2002-01-24 WO disclosed
US-6300365-B1 ADMINISTERING NON-ERGOT DOPAMINE D.SUB.2 /D.SUB.3 RECEPTOR AGONIST OR ACID ADDITION SALT COMPRISING 3(H)-INDOLONE COMPOUND FOR THERAPY OF FIBROMYALGIA INMEDIX, LLC 2001-10-09 US disclosed
US-6291494-B1 2-aminothiazol-fused 2-aminoindans and 2-aminotetralins and their use ASTRAZENECA AB (SE) 2001-09-18 US disclosed
US-6277875-B1 FIBROMYALGIA BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2001-08-21 US disclosed
WO-2001041763-A1 TREATMENT OF ADDICTION DISORDERS UNIVERSITY OF CINCINNATI (US) 2001-06-14 WO disclosed
EP-1091946-A1 NEW 2-AMINOTHIAZOL-FUSED 2-AMINOINDANS AND 2-AMINOTETRALINS AND THEIR USE WIKSTRÖM, Hakan Vilhelm (NL) 2001-04-18 EP disclosed
WO-2000001680-A1 NEW 2-AMINOTHIAZOL-FUSED 2-AMINOINDANS AND 2-AMINOTETRALINS AND THEIR USE WIKSTROEM HAKAN VILHELM (NL) 2000-01-13 WO disclosed
US-4886812-A REGULATING DOPAMINE CONCENTRATION; PARKINSON DISEASE, HYPOTENSIVE AGENT, SCHIZOPHRENIA DR. KARL THOMAE GMBH (DE) 1989-12-12 US disclosed
US-4843086-A HYPOTENSIVE AGENTS, SCHIZOPHRENIA, PARKINSON'S DISEASE BOEHRINGER INGELHEIM KG (DE) 1989-06-27 US disclosed
US-4731374-A PARKINSON*S DISEASE DR. KARL THOMAE GMBH (DE) 1988-03-15 US disclosed
US-4714698-A ANTITUMOR, ANTICOAGULANT DR. KARL THOMAE GMBH (DE) 1987-12-22 US disclosed