SCHEMBL5957079

SCHEMBL5957079

O=C1Cc2c(c(F)cc3c2OC(CNCc2ccc(C(F)(F)F)cc2)CO3)N1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.40
DRD4 P21917 3/20 0.40
DRD3 P35462 3/20 0.40
ALDH1A1 P00352 1/20 0.38
MOGAT2 Q3SYC2 2/20 0.35
MGAT2 Q10469 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
SLC6A4 P31645 6/20 0.35
HTR2A P28223 2/20 0.35
HTR2B P41595 2/20 0.35
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PARP1 P09874 1/20 0.34

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
SCHEMBL5957093 0.91 DRD2 (0.42) DRD2DRD4DRD3ALDH1A1MEN1
SCHEMBL5957097 0.89 DRD2 (0.41) DRD2DRD4DRD3ALDH1A1MEN1
SCHEMBL5957067 0.89 DRD2 (0.41) DRD2DRD4DRD3ALDH1A1MOGAT2
SCHEMBL5957135 0.89 DRD2 (0.51) DRD2DRD4DRD3ALDH1A1MEN1
SCHEMBL5957136 0.84 DRD2 (0.52) DRD2DRD4DRD3ALDH1A1MOGAT2
SCHEMBL5957101 0.82 DRD2 (0.41) DRD2DRD4DRD3ALDH1A1MEN1
SCHEMBL5957052 0.82 DRD2 (0.41) DRD2DRD4DRD3ALDH1A1MOGAT2
SCHEMBL5957071 0.80 DRD2 (0.43) DRD2DRD4DRD3ALDH1A1MEN1
SCHEMBL5957114 0.80 DRD2 (0.43) DRD2DRD4DRD3ALDH1A1MOGAT2
SCHEMBL5957077 0.79 DRD2 (0.41) DRD2DRD4DRD3ALDH1A1MEN1

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