SCHEMBL5957053

SCHEMBL5957053

O=C1Cc2c(c(F)cc3c2OC(CNCC24CC5CC(CC(C5)C2)C4)CO3)N1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.36
SLC6A4 P31645 6/20 0.36
HTR2A P28223 2/20 0.34
HTR2B P41595 2/20 0.34
HDAC6 Q9UBN7 4/20 0.34
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC5 Q9UQL6 1/20 0.30
DRD4 P21917 1/20 0.30
DRD3 P35462 1/20 0.30

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
SCHEMBL5957085 0.81 DRD2 (0.44) DRD2SLC6A4HTR2AHTR2BHDAC6
SCHEMBL5957093 0.80 DRD2 (0.42) DRD2SLC6A4HTR2AHTR2BDRD4
SCHEMBL5957135 0.80 DRD2 (0.51) DRD2DRD4DRD3
SCHEMBL5957067 0.78 DRD2 (0.41) DRD2SLC6A4HTR2AHTR2BDRD4
SCHEMBL5957097 0.78 DRD2 (0.41) DRD2SLC6A4HTR2AHTR2BDRD4
SCHEMBL5957079 0.77 DRD2 (0.40) DRD2SLC6A4HTR2AHTR2BDRD4
SCHEMBL5957055 0.76 ALDH1A1 (0.55) DRD2SLC6A4HTR2AHTR2BDRD4
SCHEMBL5957061 0.72 MAPT (0.49) DRD2SLC6A4HTR2AHTR2B
SCHEMBL5957052 0.71 DRD2 (0.41) DRD2SLC6A4HTR2AHTR2BDRD4
SCHEMBL5957101 0.71 DRD2 (0.41) 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