SCHEMBL5954699

SCHEMBL5954699

C1=COc2c(ccc3[nH]ccc23)O1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.35
PARP1 P09874 1/20 0.34
PIK3CD O00329 1/20 0.33
RHEB Q15382 1/20 0.31
DRD2 P14416 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
SCHEMBL11437391 0.77 AHR (0.39) AHRPARP1PIK3CDRHEBDRD2
SCHEMBL3900178 0.71 ADRA2A (0.39) AHRPARP1DRD2DRD4DRD3
SCHEMBL4332262 0.71 DRD2 (0.35) AHRPARP1RHEBDRD2DRD4
SCHEMBL2398840 0.69 AHR (0.52) AHRPARP1PIK3CDRHEB
SCHEMBL6517765 0.64 POLB (0.40) PARP1DRD2DRD4DRD3
SCHEMBL9384176 0.64 KDM4E (0.49) AHRRHEB
SCHEMBL9389252 0.63 HSD17B10 (0.46)
SCHEMBL1978270 0.62 MEN1 (0.41) AHRPARP1
SCHEMBL14088004 0.60 AHR (0.32) AHRPARP1
SCHEMBL7682508 0.60 KDM4E (0.33)

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1375503-B1 Dioxino derivatives and their use as dopanine agonists WYETH CORP (US) 2006-12-27 EP disclosed
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-0932609-B1 AZAHETEROCYCLYMETHYL DERIVATIVES OF 2,3,8,9-TETRAHYDRO-7H-1,4-DIOXINO 2,3-e]INDOL-8-ONE WYETH CORP (US) 2003-05-14 EP disclosed
EP-0932609-A1 AZAHETEROCYCLYMETHYL DERIVATIVES OF 2,3,8,9-TETRAHYDRO-7H-1,4-DIOXINO 2,3-e]INDOL-8-ONE AMERICAN HOME PRODUCTS CORPORATION (US) 1999-08-04 EP disclosed
WO-1998016530-A1 AZAHETEROCYCLYMETHYL DERIVATIVES OF 2,3,8,9-TETRAHYDRO-7H-1,4-DIOXINO[2,3-e]INDOL-8-ONE AMERICAN HOME PRODUCTS CORPORATION (US) 1998-04-23 WO disclosed
EP-0771800-A2 Dioxino derivatives and their use as dopamine agonists AMERICAN HOME PRODUCTS CORPORATION (US) 1997-05-07 EP disclosed