SCHEMBL85017

SCHEMBL85017

Cc1cc2onc(C3CCN(CC(C)(C)C)CC3)c2cc1C

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.48
SLC6A4 P31645 1/20 0.48
ACHE P22303 3/20 0.46
HTR2A P28223 7/20 0.46
HTR7 P34969 3/20 0.46
KCNH2 Q12809 2/20 0.46
DRD3 P35462 3/20 0.44
HTR1A P08908 1/20 0.43

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
SCHEMBL84998 0.86 HTR2A (0.48) DRD2SLC6A4HTR2AHTR7KCNH2
SCHEMBL84575 0.85 HTR2A (0.58) DRD2SLC6A4ACHEHTR2AHTR7
SCHEMBL84567 0.85 HTR2A (0.55) DRD2SLC6A4ACHEHTR2AHTR7
SCHEMBL84574 0.81 DRD2 (0.60) DRD2SLC6A4ACHEHTR2AHTR7
SCHEMBL84562 0.81 DRD2 (0.53) DRD2HTR2AHTR7HTR1A
SCHEMBL23175432 0.80 DRD2 (0.42) DRD2SLC6A4ACHEHTR2AHTR7
SCHEMBL84571 0.80 HTR2A (0.54) DRD2SLC6A4ACHEHTR2ADRD3
SCHEMBL21633552 0.73 HTR2A (0.61) DRD2SLC6A4ACHEHTR2AHTR7
SCHEMBL84565 0.73 HTR2A (0.61) DRD2SLC6A4ACHEHTR2AHTR7
SCHEMBL85231 0.73 HTR2A (0.58) DRD2ACHEHTR2AHTR7KCNH2

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