SCHEMBL7951055

SCHEMBL7951055

CC(C)(C)OC(=O)N(CCO)[C@H]1CCc2c(ccc(O)c2O)C1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.54
DRD1 P21728 2/20 0.54
ADRA1D P25100 5/20 0.38
ADRA1A P35348 5/20 0.38
ADRA1B P35368 5/20 0.38
DRD4 P21917 3/20 0.38
DRD3 P35462 3/20 0.38
HTR1A P08908 1/20 0.38
DRD5 P21918 1/20 0.38
HTR7 P34969 1/20 0.38
ADRB2 P07550 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
SCHEMBL7950420 0.87 DRD2 (0.54) DRD2DRD1DRD4DRD3HTR1A
SCHEMBL7930304 0.80 DRD2 (0.48) DRD2DRD1ADRA1DADRA1AADRA1B
SCHEMBL30580523 0.78 DRD2 (0.63) DRD2DRD1DRD4DRD3HTR1A
SCHEMBL7785750 0.75 DRD2 (0.70) DRD2DRD1DRD4DRD3HTR1A
SCHEMBL7785753 0.75 DRD2 (0.70) DRD2DRD1DRD4DRD3HTR1A
SCHEMBL7933904 0.74 DRD2 (0.43) DRD2DRD1ADRA1DADRA1AADRA1B
SCHEMBL8218482 0.74 NFKB1 (0.34)
SCHEMBL15285331 0.73 CA14 (0.36)
SCHEMBL22005149 0.73 DRD2 (0.47) DRD2DRD1DRD4DRD3HTR1A
SCHEMBL339878 0.72 DRD2 (0.53) DRD2DRD1DRD4DRD3HTR1A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009156458-A1 NOVEL PHENOLIC AND CATECHOLIC AMINES AND PRODRUGS THEREOF H. LUNDBECK A/S (DK) 2009-12-30 WO disclosed