SCHEMBL84571

SCHEMBL84571

COc1ccc2onc(C3CCN(CC(C)(C)C)CC3)c2c1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 7/20 0.54
HTR1A P08908 2/20 0.54
ACHE P22303 1/20 0.49
SCD O00767 1/20 0.47
DRD2 P14416 2/20 0.47
HTR2C P28335 1/20 0.47
SLC6A4 P31645 1/20 0.44
DRD3 P35462 4/20 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
SCHEMBL85045 0.87 HTR2A (0.52) HTR2AHTR1AACHEDRD2HTR2C
SCHEMBL84567 0.85 HTR2A (0.55) HTR2AHTR1AACHESCDDRD2
SCHEMBL84574 0.84 DRD2 (0.60) HTR2AACHESCDDRD2SLC6A4
SCHEMBL84562 0.81 DRD2 (0.53) HTR2AHTR1ADRD2
SCHEMBL85017 0.80 DRD2 (0.48) HTR2AHTR1AACHEDRD2SLC6A4
SCHEMBL1835884 0.78 HTR1A (0.51) HTR2AHTR1ASCD
SCHEMBL84575 0.78 HTR2A (0.58) HTR2AHTR1AACHEDRD2SLC6A4
SCHEMBL11236323 0.77 HTR2C (0.47) HTR2AHTR1AACHESCDDRD2
Hydrochloric Acid SCHEMBL1833385 0.76 HTR2C (0.48) HTR2AHTR1AACHESCDDRD2
Hydrochloric Acid SCHEMBL29688457 0.76 HTR2C (0.48) HTR2AHTR1AACHESCDDRD2

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