SCHEMBL5500376

SCHEMBL5500376

CCCCc1nc(N2CCN(CCCCl)CC2)cc(C(F)(F)F)n1

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 20/20 0.46
DRD3 P35462 20/20 0.46

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
SCHEMBL6826788 0.82 KDM4E (0.36) DRD2DRD3
SCHEMBL4397316 0.81 HRH4 (0.40) DRD2DRD3
SCHEMBL392268 0.80 DRD2 (0.66) DRD2DRD3
SCHEMBL5162498 0.80 CETP (0.46) DRD2DRD3
SCHEMBL12959304 0.79 DRD2 (0.49) DRD2DRD3
SCHEMBL5170798 0.79 DRD2 (0.34) DRD2DRD3
SCHEMBL6600239 0.76 DRD2 (0.66) DRD2DRD3
SCHEMBL2232549 0.76 DRD2 (0.67) DRD2DRD3
SCHEMBL392228 0.71 DRD2 (0.56) DRD2DRD3
SCHEMBL388042 0.70 DRD2 (0.45) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1817037-A1 TRIAZOLE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULAIONT OF THE DOPAMINE D3 RECEPTOR Abbott GmbH & Co. KG (DE) 2007-08-15 EP disclosed
WO-2006058753-A1 TRIAZOLE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULAIONT OF THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2006-06-08 WO disclosed
CN-1144791-C Triazole compounds and use thereof as dopamine-D3-ligands BASF 2004-04-07 CN disclosed
CN-1267286-A 2-{3-[4-(2-t-butyl-6-trifluoromethylpyridin-4-yl) piperazin-1-yl] propylmercapto} pyrimidin-4-ol-fumarate BASF AG (DE) 2000-09-20 CN disclosed