SCHEMBL84567

SCHEMBL84567

Cc1ccc2onc(C3CCN(CC(C)(C)C)CC3)c2c1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 8/20 0.55
HTR7 P34969 2/20 0.55
KCNH2 Q12809 1/20 0.55
DRD2 P14416 4/20 0.52
HTR1A P08908 3/20 0.52
DRD3 P35462 3/20 0.48
ACHE P22303 3/20 0.47
SLC6A4 P31645 1/20 0.46
SCD O00767 1/20 0.44

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
SCHEMBL84575 0.90 HTR2A (0.58) HTR2AHTR7KCNH2DRD2HTR1A
SCHEMBL85231 0.88 HTR2A (0.58) HTR2AHTR7KCNH2DRD2HTR1A
SCHEMBL84574 0.87 DRD2 (0.60) HTR2AHTR7DRD2DRD3ACHE
SCHEMBL85017 0.85 DRD2 (0.48) HTR2AHTR7KCNH2DRD2HTR1A
SCHEMBL84571 0.85 HTR2A (0.54) HTR2ADRD2HTR1ADRD3ACHE
SCHEMBL85015 0.84 DRD2 (0.65) HTR2AHTR7KCNH2DRD2HTR1A
SCHEMBL84562 0.84 DRD2 (0.53) HTR2AHTR7DRD2HTR1A
SCHEMBL21633562 0.83 HTR2A (0.60) HTR2AHTR7KCNH2DRD2HTR1A
SCHEMBL85004 0.82 HTR2A (0.62) HTR2AHTR7KCNH2DRD2HTR1A
SCHEMBL10634285 0.82 HTR2A (0.55) HTR2AHTR7KCNH2DRD2HTR1A

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