SCHEMBL6619115

SCHEMBL6619115

CCCN(C1CCc2ccc(OS(=O)(=O)C(F)(F)F)cc2C1)C(C1CCNCC1)S(C)(=O)=O

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.48
DRD3 P35462 6/20 0.48
HTR1D P28221 2/20 0.48
DRD4 P21917 2/20 0.43

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
SCHEMBL6345233 0.88 DRD2 (0.57) DRD2DRD3DRD4
SCHEMBL6335385 0.88 DRD2 (0.57) DRD2DRD3DRD4
SCHEMBL6336496 0.87 DRD3 (0.46) DRD2DRD3DRD4
SCHEMBL6619493 0.85 DRD2 (0.46) DRD2DRD3HTR1DDRD4
SCHEMBL6638006 0.84 DRD2 (0.41) DRD2DRD3HTR1DDRD4
SCHEMBL6344096 0.84 DRD3 (0.57) DRD2DRD3DRD4
SCHEMBL6337081 0.83 DRD3 (0.40) DRD2DRD3HTR1DDRD4
SCHEMBL3390091 0.83 DRD3 (0.42) DRD2DRD3HTR1DDRD4
SCHEMBL6345257 0.82 DRD3 (0.41) DRD2DRD3DRD4
SCHEMBL3390526 0.81 DRD2 (0.42) DRD2DRD3HTR1DDRD4

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-1453805-A1 4-PIPERIDINYL ALKYLAMINE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-09-08 EP disclosed
WO-2003048124-A1 4-PIPERIDINYL ALKYLAMINE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2003-06-12 WO disclosed