SCHEMBL5957136

SCHEMBL5957136

O=C1Cc2c(ccc3c2OC(CNCc2ccc(C(F)(F)F)cc2)CO3)N1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 13/20 0.52
DRD4 P21917 3/20 0.52
DRD3 P35462 3/20 0.52
SLC6A4 P31645 10/20 0.43
HTR2A P28223 2/20 0.43
HTR2B P41595 2/20 0.43
ADRA1D P25100 4/20 0.40
ADRA1A P35348 4/20 0.40
ADRA1B P35368 4/20 0.40
ALDH1A1 P00352 1/20 0.40
MOGAT2 Q3SYC2 2/20 0.37
MGAT2 Q10469 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PARP1 P09874 1/20 0.35

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
SCHEMBL5957081 0.89 DRD2 (0.55) DRD2DRD4DRD3SLC6A4HTR2A
SCHEMBL5957106 0.89 DRD2 (0.52) DRD2DRD4DRD3SLC6A4HTR2A
SCHEMBL5957150 0.88 DRD2 (0.50) DRD2DRD4DRD3SLC6A4HTR2A
SCHEMBL5957139 0.87 DRD2 (0.55) DRD2DRD4DRD3SLC6A4HTR2A
Aplindore SCHEMBL3192098 0.87 DRD2 (0.68) DRD2DRD4DRD3SLC6A4HTR2A
Aplindore SCHEMBL119499 0.87 DRD2 (0.68) DRD2DRD4DRD3SLC6A4HTR2A
Aplindore SCHEMBL29359212 0.87 DRD2 (0.68) DRD2DRD4DRD3SLC6A4HTR2A
SCHEMBL5957057 0.85 MEN1 (0.54) DRD2DRD4DRD3SLC6A4HTR2A
SCHEMBL5957079 0.84 DRD2 (0.40) DRD2DRD4DRD3SLC6A4HTR2A
Aplindore SCHEMBL29470967 0.81 DRD2 (0.60) 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 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