SCHEMBL5957061

SCHEMBL5957061

O=C1Cc2c(c(F)cc3c2OC(CNCCCc2c[nH]c4ccccc24)CO3)N1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
HTR1A P08908 12/20 0.46
DRD2 P14416 3/20 0.40
HTR2A P28223 3/20 0.40
HTR2B P41595 3/20 0.40
HTR2C P28335 2/20 0.40
SLC6A4 P31645 2/20 0.39
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
KMT2A Q03164 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
SCHEMBL5957060 0.85 MAPT (0.51) MAPTHTR1ADRD2HTR2AHTR2B
SCHEMBL5957055 0.82 ALDH1A1 (0.55) HTR1ADRD2HTR2AHTR2BHTR2C
SCHEMBL5957117 0.80 HTR1A (0.52) MAPTHTR1ADRD2HTR2AHTR2B
SCHEMBL5957135 0.78 DRD2 (0.51) DRD2MEN1LMNAKMT2ASMN1; SMN2
SCHEMBL7828214 0.77 MAPT (0.70) MAPTHTR1AMEN1LMNATP53
SCHEMBL6991345 0.75 CCR2 (0.43) HTR1ADRD2HTR2ASLC6A4KMT2A
SCHEMBL6319964 0.75 MAPT (0.51) MAPTHTR1ADRD2HTR2AHTR2B
SCHEMBL7817707 0.74 MAPT (0.68) MAPTHTR1AMEN1LMNATP53
SCHEMBL5957093 0.74 DRD2 (0.42) MAPTDRD2HTR2AHTR2BSLC6A4
SCHEMBL7827977 0.74 MAPT (0.57) MAPTHTR1AMEN1LMNATP53

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