SCHEMBL6587571

SCHEMBL6587571

CC(C)(C)[Si](C)(C)Oc1ccc(-c2cncc(CN3CCCC3)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.46
DRD4 P21917 6/20 0.46
DRD3 P35462 6/20 0.46
DYRK1A Q13627 10/20 0.46
PRMT6 Q96LA8 1/20 0.44
WNT1 P04628 5/20 0.44
CLK2 P49760 4/20 0.43
CLK3 P49761 3/20 0.42
PARP1 P09874 1/20 0.42
DHODH Q02127 1/20 0.42
GSK3B P49841 1/20 0.41
PIK3CD O00329 1/20 0.41
PIK3R1 P27986 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 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
SCHEMBL6583163 0.83 DYRK1A (0.44) DRD2DRD4DRD3DYRK1APRMT6
SCHEMBL6584206 0.75 DRD2 (0.56) DRD2DRD4DRD3DYRK1AWNT1
SCHEMBL6587585 0.75 DRD2 (0.61) DRD2DRD4DRD3DYRK1AWNT1
SCHEMBL6584525 0.75 DYRK1A (0.50) DRD2DRD4DRD3DYRK1AWNT1
SCHEMBL6966193 0.71 CHRNB4 (0.47)
SCHEMBL23491348 0.71 PREP (0.57)
SCHEMBL11992486 0.70 HRH3 (0.59) PRMT6
SCHEMBL19891750 0.68 CHRNB2 (0.47) DRD2DRD4DRD3DYRK1APRMT6
SCHEMBL13765810 0.68 KDM4E (0.47) DYRK1A
SCHEMBL6584434 0.68 DYRK1A (0.50) DRD2DRD4DRD3DYRK1AWNT1

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