SCHEMBL85015

SCHEMBL85015

CCCN1CCC(c2noc3ccc(C)cc23)CC1

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.65
SLC6A4 P31645 1/20 0.65
HTR2A P28223 8/20 0.64
HTR7 P34969 3/20 0.64
KCNH2 Q12809 1/20 0.64
HTR1A P08908 3/20 0.58
DRD3 P35462 2/20 0.52
ACHE P22303 2/20 0.51

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
SCHEMBL85004 0.93 HTR2A (0.62) DRD2SLC6A4HTR2AHTR7KCNH2
SCHEMBL21633562 0.89 HTR2A (0.60) DRD2SLC6A4HTR2AHTR7KCNH2
SCHEMBL23595908 0.87 HTR2A (0.59) DRD2SLC6A4HTR2AHTR7KCNH2
SCHEMBL10634285 0.85 HTR2A (0.55) DRD2SLC6A4HTR2AHTR7KCNH2
SCHEMBL84999 0.85 HTR2A (0.64) DRD2SLC6A4HTR2AHTR7KCNH2
SCHEMBL84567 0.84 HTR2A (0.55) DRD2SLC6A4HTR2AHTR7KCNH2
SCHEMBL84566 0.83 DRD2 (0.70) DRD2SLC6A4HTR2AHTR7KCNH2
SCHEMBL85565 0.83 HTR2A (0.62) DRD2HTR2AHTR7KCNH2HTR1A
SCHEMBL19957359 0.83 DRD2 (0.66) DRD2SLC6A4HTR2AHTR7HTR1A
SCHEMBL24668871 0.81 HTR2A (0.78) DRD2HTR2AHTR7KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129410-B2 Sleep maintenance insomnia; circadian rhythm abnormalities; side effect reduction HYPNION, INC. (US) 2012-03-06 US disclosed