SCHEMBL5957062

SCHEMBL5957062

O=C1Nc2ccc3c(c2C1=O)OC(CNCc1ccccc1)CO3

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.52
DRD4 P21917 6/20 0.52
DRD3 P35462 6/20 0.52
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
HTR1A P08908 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
POLB P06746 1/20 0.41

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
Aplindore SCHEMBL29359212 0.82 DRD2 (0.68) DRD2DRD4DRD3ALDH1A1MEN1
Aplindore SCHEMBL3192098 0.82 DRD2 (0.68) DRD2DRD4DRD3ALDH1A1MEN1
Aplindore SCHEMBL119499 0.82 DRD2 (0.68) DRD2DRD4DRD3ALDH1A1MEN1
SCHEMBL5957109 0.81 DRD2 (0.58) DRD2DRD4DRD3ALDH1A1MEN1
SCHEMBL13481964 0.77 DRD2 (0.52) DRD2DRD4DRD3ALDH1A1MEN1
SCHEMBL7411476 0.77 DRD2 (0.54) DRD2DRD4DRD3ALDH1A1MEN1
SCHEMBL5957119 0.77 ALDH1A1 (0.39) DRD2DRD4DRD3ALDH1A1MEN1
SCHEMBL6860665 0.77 DRD2 (0.53) DRD2DRD4DRD3ALDH1A1MEN1
Aplindore SCHEMBL5954695 0.76 DRD2 (0.60) DRD2DRD4DRD3ALDH1A1MEN1
Aplindore SCHEMBL29470967 0.76 DRD2 (0.60) DRD2DRD4DRD3ALDH1A1MEN1

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 9 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
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 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
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