SCHEMBL85060

SCHEMBL85060

CCCCN1CCC(c2noc3ccccc23)CC1

nearest known ligand 0.77

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 12/20 0.61
HTR2A P28223 11/20 0.61
HTR7 P34969 3/20 0.61
KCNH2 Q12809 1/20 0.61
SLC6A4 P31645 1/20 0.60
HTR1A P08908 8/20 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
SCHEMBL84566 0.92 DRD2 (0.70) DRD2HTR2AHTR7KCNH2SLC6A4
SCHEMBL25345725 0.87 DRD2 (0.57) DRD2HTR2AHTR7KCNH2HTR1A
SCHEMBL30485109 0.87 DRD2 (0.57) DRD2HTR2AHTR7KCNH2HTR1A
SCHEMBL23595619 0.87 DRD2 (0.56) DRD2HTR2AHTR7KCNH2SLC6A4
SCHEMBL11220455 0.86 DRD2 (0.63) DRD2HTR2AHTR7KCNH2HTR1A
Hydrochloric Acid SCHEMBL7256199 0.86 ACHE (0.62) DRD2HTR2AHTR7KCNH2HTR1A
Hydrochloric Acid SCHEMBL23581613 0.86 DRD2 (0.55) DRD2HTR2AHTR7KCNH2SLC6A4
SCHEMBL21678218 0.84 DRD2 (0.58) DRD2HTR2AHTR7HTR1A
SCHEMBL22048329 0.84 DRD2 (0.57) DRD2HTR2AHTR7HTR1A
SCHEMBL19957359 0.84 DRD2 (0.66) DRD2HTR2AHTR7SLC6A4HTR1A

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