SCHEMBL84574

SCHEMBL84574

CC(C)(C)CN1CCC(c2noc3ccc(F)cc23)CC1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.60
SLC6A4 P31645 1/20 0.60
HTR2A P28223 4/20 0.59
DRD3 P35462 3/20 0.59
ACHE P22303 2/20 0.58
HTR7 P34969 1/20 0.56
SCD O00767 4/20 0.53

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
SCHEMBL85000 0.87 HTR2A (0.61) DRD2SLC6A4HTR2ADRD3ACHE
SCHEMBL84567 0.87 HTR2A (0.55) DRD2SLC6A4HTR2ADRD3ACHE
SCHEMBL84571 0.84 HTR2A (0.54) DRD2SLC6A4HTR2ADRD3ACHE
SCHEMBL84562 0.83 DRD2 (0.53) DRD2HTR2AHTR7
SCHEMBL22048381 0.82 ACHE (0.65) DRD2SLC6A4HTR2ADRD3ACHE
SCHEMBL85017 0.81 DRD2 (0.48) DRD2SLC6A4HTR2ADRD3ACHE
SCHEMBL24279714 0.80 DRD2 (0.64) DRD2SLC6A4HTR2ADRD3ACHE
SCHEMBL7356121 0.80 DRD2 (0.67) DRD2SLC6A4HTR2ADRD3ACHE
SCHEMBL84575 0.80 HTR2A (0.58) DRD2SLC6A4HTR2ADRD3ACHE
SCHEMBL8346979 0.79 DRD2 (0.69) DRD2SLC6A4HTR2ADRD3ACHE

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