SCHEMBL84575

SCHEMBL84575

Cc1ccc2c(C3CCN(CC(C)(C)C)CC3)noc2c1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 10/20 0.58
DRD3 P35462 3/20 0.58
DRD2 P14416 8/20 0.55
SLC6A4 P31645 1/20 0.55
ACHE P22303 2/20 0.53
HTR1A P08908 2/20 0.52
HTR7 P34969 5/20 0.48
HTR6 P50406 3/20 0.48
KCNH2 Q12809 2/20 0.47

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
SCHEMBL84567 0.90 HTR2A (0.55) HTR2ADRD3DRD2SLC6A4ACHE
SCHEMBL84565 0.88 HTR2A (0.61) HTR2ADRD3DRD2SLC6A4ACHE
SCHEMBL85017 0.85 DRD2 (0.48) HTR2ADRD3DRD2SLC6A4ACHE
SCHEMBL84562 0.84 DRD2 (0.53) HTR2ADRD2HTR1AHTR7
SCHEMBL19957359 0.82 DRD2 (0.66) HTR2ADRD3DRD2SLC6A4ACHE
SCHEMBL13525309 0.82 HTR2A (0.56) HTR2ADRD3DRD2SLC6A4ACHE
SCHEMBL23175518 0.81 HTR2A (0.51) HTR2ADRD3DRD2SLC6A4ACHE
SCHEMBL14587854 0.81 HTR2A (0.62) HTR2ADRD3DRD2SLC6A4ACHE
SCHEMBL84574 0.80 DRD2 (0.60) HTR2ADRD3DRD2SLC6A4ACHE
Hydrochloric Acid SCHEMBL606382 0.79 HTR2A (0.70) HTR2ADRD3DRD2SLC6A4ACHE

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