SCHEMBL84566

SCHEMBL84566

CCCN1CCC(c2noc3ccccc23)CC1

nearest known ligand 0.73

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 14/20 0.70
SLC6A4 P31645 2/20 0.70
HTR2A P28223 12/20 0.62
HTR7 P34969 3/20 0.62
HTR1A P08908 9/20 0.60
KCNH2 Q12809 1/20 0.58

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
SCHEMBL85060 0.92 DRD2 (0.61) DRD2SLC6A4HTR2AHTR7HTR1A
SCHEMBL21678218 0.86 DRD2 (0.58) DRD2HTR2AHTR7HTR1A
SCHEMBL22048329 0.86 DRD2 (0.57) DRD2HTR2AHTR7HTR1A
SCHEMBL24279786 0.86 DRD2 (0.57) DRD2SLC6A4HTR2AHTR7HTR1A
SCHEMBL11239226 0.86 DRD2 (0.68) DRD2SLC6A4HTR2AHTR7HTR1A
SCHEMBL85001 0.86 DRD2 (0.57) DRD2HTR2AHTR7HTR1A
SCHEMBL11257136 0.86 DRD2 (0.64) DRD2HTR2AHTR7HTR1AKCNH2
Hydrochloric Acid SCHEMBL21987945 0.85 DRD2 (0.56) DRD2HTR2AHTR7HTR1A
SCHEMBL10637706 0.84 DRD2 (0.55) DRD2HTR2AHTR7HTR1A
SCHEMBL23595619 0.84 DRD2 (0.56) DRD2SLC6A4HTR2AHTR7HTR1A

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