SCHEMBL6251822

SCHEMBL6251822

CC(C)(C)c1nc(N2CC[N+](CCCCn3ccc(C4CC4)nc3=O)(CC(=O)[O-])CC2)cc(C(F)(F)F)n1

nearest known ligand 0.70

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 20/20 0.70
DRD3 P35462 20/20 0.70

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
SCHEMBL2348945 0.85 DRD2 (0.70) DRD2DRD3
Acetic Acid SCHEMBL2348942 0.82 DRD2 (0.92) DRD2DRD3
SCHEMBL2350953 0.81 DRD2 (0.69) DRD2DRD3
SCHEMBL2352979 0.80 DRD2 (1.00) DRD2DRD3
Fumaric Acid SCHEMBL2350957 0.77 DRD2 (0.88) DRD2DRD3
Fumaric Acid SCHEMBL2350948 0.77 DRD2 (0.88) DRD2DRD3
Fumaric Acid SCHEMBL2350959 0.77 DRD2 (0.88) DRD2DRD3
SCHEMBL2350037 0.73 DRD2 (0.66) DRD2DRD3
SCHEMBL2352124 0.73 DRD2 (0.67) DRD2DRD3
SCHEMBL2353587 0.72 DRD2 (0.55) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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