SCHEMBL5957055

SCHEMBL5957055

O=C1Cc2c(c(F)cc3c2OC(CNCCCCc2ccccc2)CO3)N1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
SMN1; SMN2 Q16637 1/20 0.51
DRD2 P14416 4/20 0.47
HTR2A P28223 3/20 0.47
HTR2B P41595 3/20 0.47
HTR1A P08908 2/20 0.47
HTR2C P28335 2/20 0.47
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
SLC6A4 P31645 1/20 0.39
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 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
SCHEMBL5957135 0.88 DRD2 (0.51) ALDH1A1SMN1; SMN2DRD2DRD4DRD3
SCHEMBL5957113 0.83 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2DRD2HTR2AHTR2B
SCHEMBL5957061 0.82 MAPT (0.49) SMN1; SMN2DRD2HTR2AHTR2BHTR1A
SCHEMBL5957093 0.81 DRD2 (0.42) ALDH1A1DRD2HTR2AHTR2BDRD4
SCHEMBL5957067 0.79 DRD2 (0.41) ALDH1A1DRD2HTR2AHTR2BDRD4
SCHEMBL5957097 0.79 DRD2 (0.41) ALDH1A1DRD2HTR2AHTR2BDRD4
SCHEMBL5957129 0.78 ADRA1D (0.41) ALDH1A1DRD2HTR2AHTR2BHTR1A
SCHEMBL5957116 0.78 DRD2 (0.52) ALDH1A1SMN1; SMN2DRD2HTR2AHTR2B
SCHEMBL5957050 0.78 DRD2 (0.52) ALDH1A1SMN1; SMN2DRD2DRD4DRD3
SCHEMBL5957079 0.78 DRD2 (0.40) ALDH1A1SMN1; SMN2DRD2HTR2AHTR2B

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