SCHEMBL3390524

SCHEMBL3390524

CCCN(CC1CCN(C(=O)c2ccno2)CC1)C1CCc2ccc(OS(=O)(=O)C(F)(F)F)cc2C1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.43
DRD3 P35462 9/20 0.43
DRD4 P21917 5/20 0.43
HTR1D P28221 2/20 0.43
HTR1A P08908 1/20 0.38
MEN1 O00255 1/20 0.38
ADRB2 P07550 1/20 0.38
CYP2D6 P10635 1/20 0.38
CASP1 P29466 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL6343684 0.90 DRD2 (0.56) DRD2DRD3DRD4HTR1AMEN1
SCHEMBL6346823 0.87 DRD3 (0.56) DRD2DRD3DRD4
SCHEMBL3387809 0.85 DRD2 (0.46) DRD2DRD3DRD4HTR1DHTR1A
SCHEMBL3391261 0.84 DRD2 (0.47) DRD2DRD3DRD4HTR1D
SCHEMBL3390359 0.79 DRD2 (0.53) DRD2DRD3DRD4HTR1DHTR1A
SCHEMBL6638000 0.77 DRD2 (0.44) DRD2DRD3DRD4HTR1D
SCHEMBL3387755 0.76 DRD2 (0.43) DRD2DRD3DRD4HTR1AMEN1
SCHEMBL3390526 0.75 DRD2 (0.42) DRD2DRD3DRD4HTR1D
SCHEMBL6335402 0.74 DRD2 (0.66) DRD2DRD3DRD4HTR1AMEN1
SCHEMBL6340885 0.74 DRD2 (0.62) DRD2DRD3DRD4HTR1AMEN1

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-B1 4-PIPERIDINYL ALKYLAMINE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-12-22 EP claimed
EP-1453805-B1 4-PIPERIDINYL ALKYLAMINE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-12-22 EP disclosed