SCHEMBL7102209

SCHEMBL7102209

CCCCC1CCN(CCCc2n[nH]c3cc(OC)ccc23)CC1.CCCCC1CCN(CCCc2n[nH]c3cccc(OC)c23)CC1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.41
HTR1A P08908 2/20 0.40
SLC6A4 P31645 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL5339530 0.91 GSK3B (0.46) GSK3BHTR1AHRH3
SCHEMBL5344105 0.90 HRH3 (0.47) HTR1AHRH3
SCHEMBL5331604 0.84 GSK3B (0.52) GSK3BHTR1A
SCHEMBL5331696 0.80 HRH3 (0.51) HTR1ASLC6A4HRH3
Hydrochloric Acid SCHEMBL6222193 0.79 HRH3 (0.50) HTR1ASLC6A4HRH3
SCHEMBL5335316 0.78 HRH3 (0.43) GSK3BHTR1AHRH3
SCHEMBL5335731 0.77 HRH3 (0.46) HTR1AHRH3
SCHEMBL5332684 0.75 HRH3 (0.50) HTR1ASLC6A4HRH3
SCHEMBL5332653 0.73 HRH3 (0.43) GSK3BHTR1AHRH3
SCHEMBL5332597 0.71 PARP1 (0.47) HTR1ASLC6A4HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1278741-A1 MUSCARINIC AGONISTS Acadia Pharmaceuticals Inc. (US) 2003-01-29 EP claimed
WO-2001083472-A1 MUSCARINIC AGONISTS ACADIA PHARMACEUTICALS, INC. (US) 2001-11-08 WO claimed