SCHEMBL5957074

SCHEMBL5957074

C#CCNCC1COc2ccc3c(c2O1)CC(=O)N3

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 12/20 0.45
DRD4 P21917 1/20 0.45
DRD3 P35462 1/20 0.45
SLC6A4 P31645 10/20 0.44
HTR2A P28223 3/20 0.44
HTR2B P41595 3/20 0.44
ADRA1D P25100 8/20 0.38
ADRA1A P35348 8/20 0.38
ADRA1B P35368 8/20 0.38
CA2 P00918 1/20 0.35
POLB P06746 1/20 0.34
ESR2 Q92731 1/20 0.34
HTR1A P08908 1/20 0.33
HTR2C P28335 1/20 0.33

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
SCHEMBL5957134 0.83 DRD2 (0.47) DRD2DRD4DRD3SLC6A4HTR2A
SCHEMBL5957139 0.82 DRD2 (0.55) DRD2DRD4DRD3SLC6A4HTR2A
Aplindore SCHEMBL3192098 0.82 DRD2 (0.68) DRD2DRD4DRD3SLC6A4HTR2A
Aplindore SCHEMBL119499 0.82 DRD2 (0.68) DRD2DRD4DRD3SLC6A4HTR2A
SCHEMBL5957105 0.82 DRD2 (0.51) DRD2DRD4DRD3SLC6A4HTR2A
Aplindore SCHEMBL29359212 0.82 DRD2 (0.68) DRD2DRD4DRD3SLC6A4HTR2A
SCHEMBL5957098 0.82 DRD2 (0.48) DRD2DRD4DRD3SLC6A4HTR2A
SCHEMBL13222379 0.81 DRD2 (0.42) DRD2DRD4DRD3SLC6A4HTR2A
SCHEMBL5957081 0.80 DRD2 (0.55) DRD2DRD4DRD3SLC6A4HTR2A
SCHEMBL5957085 0.80 DRD2 (0.44) DRD2DRD4DRD3SLC6A4HTR2A

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