SCHEMBL5957057

SCHEMBL5957057

COc1ccc(CNCC2COc3ccc4c(c3O2)CC(=O)N4)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
DRD2 P14416 12/20 0.52
DRD4 P21917 3/20 0.52
DRD3 P35462 3/20 0.52
ALDH1A1 P00352 2/20 0.41
SLC6A4 P31645 9/20 0.41
HTR2A P28223 2/20 0.41
HTR2B P41595 2/20 0.41
ADRA1D P25100 4/20 0.40
ADRA1A P35348 4/20 0.40
ADRA1B P35368 4/20 0.40
NPC1 O15118 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL5957139 0.89 DRD2 (0.55) MEN1KMT2ADRD2DRD4DRD3
SCHEMBL7397482 0.88 DRD2 (0.44) MEN1KMT2ADRD2DRD4DRD3
SCHEMBL5957150 0.88 DRD2 (0.50) MEN1KMT2ADRD2DRD4DRD3
SCHEMBL5957081 0.87 DRD2 (0.55) MEN1KMT2ADRD2DRD4DRD3
Aplindore SCHEMBL119499 0.87 DRD2 (0.68) MEN1KMT2ADRD2DRD4DRD3
Aplindore SCHEMBL3192098 0.87 DRD2 (0.68) MEN1KMT2ADRD2DRD4DRD3
Aplindore SCHEMBL29359212 0.87 DRD2 (0.68) MEN1KMT2ADRD2DRD4DRD3
SCHEMBL5957136 0.85 DRD2 (0.52) MEN1KMT2ADRD2DRD4DRD3
SCHEMBL8313970 0.83 DRD2 (0.77) MEN1KMT2ADRD2DRD4DRD3
Aplindore SCHEMBL5954695 0.81 DRD2 (0.60) MEN1KMT2ADRD2DRD4DRD3

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 5 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