SCHEMBL6584525

SCHEMBL6584525

O=C(/C=C/C(=O)Oc1ccc(-c2cncc(CN3CCCC3)c2)cc1)Oc1ccc(-c2cncc(CN3CCCC3)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 15/20 0.50
WNT1 P04628 7/20 0.50
CLK2 P49760 3/20 0.50
CLK3 P49761 2/20 0.50
PARP1 P09874 1/20 0.49
DHODH Q02127 1/20 0.49
GSK3B P49841 1/20 0.49
DRD2 P14416 3/20 0.47
DRD4 P21917 3/20 0.47
DRD3 P35462 3/20 0.47

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
SCHEMBL6587883 0.84 DYRK1A (0.48) DYRK1AWNT1CLK2CLK3PARP1
Fumaric Acid SCHEMBL6584532 0.81 DYRK1A (0.50) DYRK1AWNT1CLK2CLK3PARP1
Fumaric Acid SCHEMBL6592880 0.80 DRD2 (0.52) DYRK1AWNT1CLK2CLK3PARP1
Fumaric Acid SCHEMBL6592877 0.80 DRD2 (0.52) DYRK1AWNT1CLK2CLK3PARP1
SCHEMBL6584206 0.79 DRD2 (0.56) DYRK1AWNT1CLK2CLK3PARP1
SCHEMBL6587585 0.76 DRD2 (0.61) DYRK1AWNT1CLK2CLK3PARP1
SCHEMBL6587571 0.75 DRD2 (0.46) DYRK1AWNT1CLK2CLK3PARP1
Fumaric Acid SCHEMBL6587886 0.74 DYRK1A (0.48) DYRK1AWNT1CLK2CLK3PARP1
Fumaric Acid SCHEMBL8552190 0.74 DYRK1A (0.48) DYRK1AWNT1CLK2CLK3PARP1
SCHEMBL6584434 0.71 DYRK1A (0.50) DYRK1AWNT1CLK2CLK3PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0871615-B1 SUBSTITUTED PYRIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MODULATORS OF ACETYLCHOLINE RECEPTORS MERCK & CO INC (US) 2004-07-14 EP disclosed
US-6194581-B1 FOR TREATMENT OF DYSFUNCTION OF THE CENTRAL OR AUTONOMIC NERVOUS SYSTEMS INCLUDING DEMENTIA, COGNITIVE DISORDERS, NEURODEGENERATIVE DISORDERS, EXTRAPYRAMIDAL DISORDERS, CONVULSIVE DISORDERS, CARDIOVASCULAR DISORDERS, PAIN MERCK & CO., INC. 2001-02-27 US disclosed
US-5852041-A Substituted pyridines useful as modulators of acethylcholine receptors SIBIA NEUROSCIENCES, INC. (US) 1998-12-22 US disclosed
EP-0871615-A1 SUBSTITUTED PYRIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MODULATORS OF ACETYLCHOLINE RECEPTORS SIBIA NEUROSCIENCES, INC. (US) 1998-10-21 EP disclosed
US-5736560-A USEFUL IN THE TREATMENT OF ALZHEIMER'S AND PARKINSONS'S DISEASES SIBIA NEUROSCIENCES, INC. (US) 1998-04-07 US disclosed
US-5686473-A TREATING PARKINSON*S DISEASE, ALZHEIMER*S DISEASE, DEMENTIA AND PAIN SIBIA NEUROSCIENCES, INC. (US) 1997-11-11 US disclosed
US-5585388-A Substituted pyridines useful as modulators of acetylcholine receptors SIBIA NEUROSCIENCES, INC. (US) 1996-12-17 US disclosed
WO-1996031475-A2 SUBSTITUTED PYRIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MODULATORS OF ACETYLCHOLINE RECEPTORS SIBIA NEUROSCIENCES, INC. (US) 1996-10-10 WO disclosed