SCHEMBL5957084

SCHEMBL5957084

Cc1ccc(S(=O)(=O)OC[C@H]2COc3ccc4c(c3O2)CCC(=O)N4)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.36
LMNA P02545 3/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
MAPT P10636 2/20 0.36
CYP2C19 P33261 2/20 0.36
PKM P14618 2/20 0.36
CYP2C9 P11712 1/20 0.36
MAPK1 P28482 1/20 0.36
DRD2 P14416 4/20 0.35
ADRA1D P25100 4/20 0.35
SLC6A4 P31645 4/20 0.35
ADRA1A P35348 4/20 0.35
ADRA1B P35368 4/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CRBN Q96SW2 1/20 0.34
CA2 P00918 1/20 0.33
NR3C2 P08235 1/20 0.33
USP2 O75604 1/20 0.32

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
SCHEMBL3035136 0.91 DRD2 (0.37) TSHRLMNAALDH1A1CYP3A4CYP2D6
SCHEMBL3039847 0.91 DRD2 (0.37) TSHRLMNAALDH1A1CYP3A4CYP2D6
SCHEMBL5954233 0.91 DRD2 (0.37) TSHRLMNAALDH1A1CYP3A4CYP2D6
SCHEMBL6627467 0.81 LMNA (0.40) TSHRLMNAALDH1A1CYP3A4CYP2D6
SCHEMBL6627473 0.81 LMNA (0.40) TSHRLMNAALDH1A1CYP3A4CYP2D6
SCHEMBL6630201 0.81 LMNA (0.40) TSHRLMNAALDH1A1CYP3A4CYP2D6
SCHEMBL6626563 0.81 LMNA (0.40) TSHRLMNAALDH1A1CYP3A4CYP2D6
SCHEMBL7395323 0.79 DRD2 (0.45) LMNAMAPTDRD2ADRA1DSLC6A4
SCHEMBL7397482 0.79 DRD2 (0.44) TSHRLMNAALDH1A1DRD2SLC6A4
SCHEMBL7395078 0.79 DRD2 (0.41) LMNAALDH1A1MAPK1DRD2ADRA1D

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 disclosed
EP-1375503-A1 Dioxino derivatives and their use as dopanine agonists Wyeth (US) 2004-01-02 EP disclosed
US-5962465-A BRAIN DISORDERS; PSYCHOLOGICAL DISORDERS AMERICAN HOME PRODUCTS CORPORATION (US) 1999-10-05 US disclosed
US-5756532-A Aminomethyl-2 3 8 9-tetrahydro-7H-1 4-dioxino 2 3-E!-indol-8-ones and derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1998-05-26 US disclosed
EP-0771800-A2 Dioxino derivatives and their use as dopamine agonists AMERICAN HOME PRODUCTS CORPORATION (US) 1997-05-07 EP disclosed