SCHEMBL4294293

SCHEMBL4294293

O=C(/C=C/c1ccccc1)NCCCCN1CCc2ccccc2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 15/20 1.00
DRD3 P35462 15/20 1.00
HDAC3 O15379 3/20 0.61
HDAC1 Q13547 3/20 0.61
HDAC6 Q9UBN7 2/20 0.61
OPRL1 P41146 1/20 0.60
KMT2A Q03164 1/20 0.58
HDAC2 Q92769 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
NCOR2 Q9Y618 1/20 0.56

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
SCHEMBL4294300 1.00 DRD2 (1.00) DRD2DRD3HDAC3HDAC1HDAC6
SCHEMBL29914813 1.00 DRD2 (1.00) DRD2DRD3HDAC3HDAC1HDAC6
SCHEMBL7851097 0.90 DRD2 (0.81) DRD2DRD3HDAC3HDAC1HDAC6
SCHEMBL7851948 0.90 DRD2 (0.81) DRD2DRD3HDAC3HDAC1HDAC6
SCHEMBL7852040 0.86 DRD2 (0.78) DRD2DRD3
SCHEMBL7852036 0.86 DRD2 (0.78) DRD2DRD3
SCHEMBL7851643 0.83 DRD2 (1.00) DRD2DRD3
SCHEMBL7851769 0.83 DRD2 (1.00) DRD2DRD3
SCHEMBL2840972 0.83 DRD3 (0.72) DRD2DRD3HDAC3HDAC1HDAC2
SCHEMBL7850257 0.83 DRD2 (0.72) DRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090209551-A1 ESSENTIAL TREMOR DIAGNOSTIC AND TREATMENT INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2009-08-20 US claimed
EP-1591455-A1 Essential tremor diagnostic and treatment INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2005-11-02 EP claimed
US-20090209551-A1 ESSENTIAL TREMOR DIAGNOSTIC AND TREATMENT INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2009-08-20 US disclosed
EP-1740610-A2 ESSENTIAL TREMOR DIAGNOSTIC AND TREATMENT INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2007-01-10 EP disclosed
WO-2005105839-A2 ESSENTIAL TREMOR DIAGNOSTIC AND TREATMENT INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2005-11-10 WO disclosed
EP-1591455-A1 Essential tremor diagnostic and treatment INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2005-11-02 EP disclosed
WO-2004084952-A1 IN VIVO METHOD FOR DETECTING DOPAMINE D3 RECEPTORS LIGANDS. INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2004-10-07 WO disclosed
EP-1462117-A1 Method for in vivo detection of antipsychotic properties of dopamine D3 receptor ligands Institut National de la Santé et de la Recherche Médicale (INSERM) (FR) 2004-09-29 EP disclosed