SCHEMBL85001

SCHEMBL85001

CC(C)(C)CCN1CCC(c2noc3ccccc23)CC1

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 14/20 0.57
HTR2A P28223 14/20 0.57
HTR1A P08908 12/20 0.57
HTR7 P34969 2/20 0.56

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
SCHEMBL84562 0.87 DRD2 (0.53) DRD2HTR2AHTR1AHTR7
SCHEMBL85011 0.86 DRD2 (0.58) DRD2HTR2AHTR1AHTR7
SCHEMBL84566 0.86 DRD2 (0.70) DRD2HTR2AHTR1AHTR7
SCHEMBL85060 0.84 DRD2 (0.61) DRD2HTR2AHTR1AHTR7
SCHEMBL21678218 0.83 DRD2 (0.58) DRD2HTR2AHTR1AHTR7
SCHEMBL22048329 0.83 DRD2 (0.57) DRD2HTR2AHTR1AHTR7
SCHEMBL11257136 0.82 DRD2 (0.64) DRD2HTR2AHTR1AHTR7
Hydrochloric Acid SCHEMBL21987945 0.82 DRD2 (0.56) DRD2HTR2AHTR1AHTR7
SCHEMBL13946335 0.82 HTR2A (0.56) DRD2HTR2AHTR1AHTR7
SCHEMBL10637706 0.81 DRD2 (0.55) DRD2HTR2AHTR1AHTR7

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