SCHEMBL5957096

SCHEMBL5957096

CN(C)c1cccc(OCCCNCC2COc3ccc4c(c3O2)CC(=O)N4)c1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.42
SLC6A4 P31645 6/20 0.42
HTR2A P28223 2/20 0.42
HTR2B P41595 2/20 0.42
ADRA1D P25100 9/20 0.41
ADRA1A P35348 9/20 0.41
ADRA1B P35368 9/20 0.41
DRD4 P21917 1/20 0.38
DRD3 P35462 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
SCHEMBL8584313 0.89 DRD2 (0.41) DRD2SLC6A4HTR2AHTR2BADRA1D
SCHEMBL5957129 0.87 ADRA1D (0.41) DRD2SLC6A4HTR2AHTR2BADRA1D
SCHEMBL5957058 0.85 ALDH1A1 (0.45) DRD2SLC6A4HTR2AHTR2BADRA1D
SCHEMBL5957148 0.81 DRD2 (0.43) DRD2SLC6A4HTR2AHTR2BADRA1D
SCHEMBL5957134 0.79 DRD2 (0.47) DRD2SLC6A4HTR2AHTR2BADRA1D
SCHEMBL5957098 0.78 DRD2 (0.48) DRD2SLC6A4HTR2AHTR2BADRA1D
SCHEMBL5957113 0.76 ALDH1A1 (0.59) DRD2SLC6A4HTR2AHTR2BDRD4
SCHEMBL5957074 0.73 DRD2 (0.45) DRD2SLC6A4HTR2AHTR2BADRA1D
Aplindore SCHEMBL3192098 0.72 DRD2 (0.68) DRD2SLC6A4HTR2AHTR2BDRD4
Aplindore SCHEMBL119499 0.72 DRD2 (0.68) DRD2SLC6A4HTR2AHTR2BDRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1726592-A1 Dioxino derivatives and their use as dopanine agonists Wyeth a Corporation of the State of Delaware (US) 2006-11-29 EP claimed
EP-1375503-A1 Dioxino derivatives and their use as dopanine agonists Wyeth (US) 2004-01-02 EP claimed
EP-0771800-A2 Dioxino derivatives and their use as dopamine agonists AMERICAN HOME PRODUCTS CORPORATION (US) 1997-05-07 EP claimed
EP-1726592-A1 Dioxino derivatives and their use as dopanine agonists Wyeth a Corporation of the State of Delaware (US) 2006-11-29 EP disclosed
EP-1375503-A1 Dioxino derivatives and their use as dopanine agonists Wyeth (US) 2004-01-02 EP disclosed
EP-0771800-A2 Dioxino derivatives and their use as dopamine agonists AMERICAN HOME PRODUCTS CORPORATION (US) 1997-05-07 EP disclosed