SCHEMBL3953294

SCHEMBL3953294

CC(CNN)Oc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.59
MTNR1B P49286 5/20 0.59
AOC3 Q16853 5/20 0.52
MAOA P21397 1/20 0.47
PTGS1 P23219 1/20 0.47
SLC6A4 P31645 1/20 0.43
GBA1 P04062 1/20 0.39
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
CYP2D6 P10635 1/20 0.39
ADRB3 P13945 1/20 0.39
LMNA P02545 1/20 0.38
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38

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
Hydrochloric Acid SCHEMBL11128673 0.98 MTNR1A (0.57) MTNR1AMTNR1BAOC3MAOAPTGS1
SCHEMBL8972003 0.85 MTNR1A (0.49) MTNR1AMTNR1BAOC3MAOA
SCHEMBL13452617 0.82 MTNR1A (0.61) MTNR1AMTNR1BMAOAPTGS1SLC6A4
SCHEMBL9320746 0.80 MTNR1A (0.64) MTNR1AMTNR1BSLC6A4ADRB2ADRB1
SCHEMBL11405631 0.79 OGG1 (0.57) MTNR1AMTNR1BAOC3SLC6A4
Methyl Alcohol SCHEMBL11162488 0.78 MTNR1A (0.62) MTNR1AMTNR1BSLC6A4ADRB2ADRB1
SCHEMBL3160069 0.77 MTNR1A (0.50) MTNR1AMTNR1BMAOAPTGS1SLC6A4
SCHEMBL5729049 0.77 MTNR1A (0.50) MTNR1AMTNR1BMAOAPTGS1SLC6A4
SCHEMBL3469518 0.77 MTNR1A (0.50) MTNR1AMTNR1BMAOAPTGS1SLC6A4
SCHEMBL9870637 0.76 MTNR1A (0.53) MTNR1AMTNR1BMAOAPTGS1SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1713486-A4 COMBINATION THERAPY FOR DEMENTIA,DEPRESSION AND APATHY SHELDON LESLIE JAMES (CA) 2009-04-29 EP disclosed
EP-1713486-A1 COMBINATION THERAPY FOR DEMENTIA,DEPRESSION AND APATHY Sheldon, Leslie James (CA) 2006-10-25 EP disclosed
WO-2005053703-A1 COMBINATION THERAPY FOR DEMENTIA, DEPRESSION AND APATHY SHELDON LESLIE JAMES (CA) 2005-06-16 WO disclosed