SCHEMBL4770005

SCHEMBL4770005

CSc1nc(=O)n(CCCCN2CCN(c3cc(C(F)(F)F)nc(C(C)(C)C)n3)CC2)cc1C

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 20/20 0.71
DRD3 P35462 20/20 0.71

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
Hydrochloric Acid SCHEMBL2353530 0.99 DRD2 (0.70) DRD2DRD3
SCHEMBL2350385 0.90 DRD2 (0.67) DRD2DRD3
SCHEMBL2348834 0.87 DRD2 (0.74) DRD2DRD3
Hydrochloric Acid SCHEMBL2350636 0.86 DRD2 (0.73) DRD2DRD3
Hydrochloric Acid SCHEMBL2353241 0.86 DRD2 (0.63) DRD2DRD3
SCHEMBL2349806 0.86 DRD2 (0.73) DRD2DRD3
SCHEMBL2349951 0.85 DRD2 (0.71) DRD2DRD3
Hydrochloric Acid SCHEMBL2349693 0.85 DRD2 (0.70) DRD2DRD3
SCHEMBL2354044 0.83 DRD2 (0.73) DRD2DRD3
SCHEMBL2348732 0.83 DRD2 (1.00) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1601659-B1 PYRIMIDIN-2-ONE COMPOUNDS AND THEIR USE AS DOPAMINE D3 RECEPTOR LIGANDS ABBOTT GMBH & CO KG (DE) 2008-01-16 EP disclosed
EP-1601659-A1 PYRIMIDIN-2-ONE COMPOUNDS AND THEIR USE AS DOPAMINE D3 RECEPTOR LIGANDS Abbott GmbH & Co. KG (DE) 2005-12-07 EP disclosed
WO-2004080981-A1 PYRIMIDIN-2-ONE COMPOUNDS AND THEIR USE AS DOPAMINE D3 RECEPTOR LIGANDS ABBOTT GMBH & CO. KG (DE) 2004-09-23 WO disclosed