SCHEMBL18673182

SCHEMBL18673182

O=C1C2C3CCC(C3O)C2C(=O)N1CC1CCCCC1CN1CCN(c2nsc3ccccc23)CC1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 2/20 0.79
DRD2 P14416 7/20 0.77
HTR2A P28223 7/20 0.77
HTR1A P08908 7/20 0.77
DRD3 P35462 4/20 0.77
HTR7 P34969 3/20 0.77
ADRA2C P18825 2/20 0.77
CHRM2 P08172 2/20 0.77
ADRA2A P08913 2/20 0.77
DRD1 P21728 2/20 0.77
TBXA2R P21731 2/20 0.77
SLC6A2 P23975 2/20 0.77
ADRA1A P35348 2/20 0.77
SLC6A3 Q01959 2/20 0.77
KCNH2 Q12809 2/20 0.77
ABCB11 O95342 1/20 0.77
ADORA3 P0DMS8 1/20 0.77
ADRA2B P18089 1/20 0.77
ACHE P22303 1/20 0.77
PDE4A P27815 1/20 0.77

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
SCHEMBL31554976 1.00 HTR2B (0.79) HTR2BDRD2HTR2AHTR1ADRD3
SCHEMBL16804115 1.00 HTR2B (0.79) HTR2BDRD2HTR2AHTR1ADRD3
SCHEMBL12620235 0.94 HTR2B (0.81) HTR2BDRD2HTR2AHTR1ADRD3
SCHEMBL12653144 0.94 HTR2B (0.81) HTR2BDRD2HTR2AHTR1ADRD3
SCHEMBL12620194 0.94 HTR2B (0.81) HTR2BDRD2HTR2AHTR1ADRD3
SCHEMBL12620197 0.94 HTR2B (0.81) HTR2BDRD2HTR2AHTR1ADRD3
SCHEMBL12620231 0.94 HTR2B (0.81) HTR2BDRD2HTR2AHTR1ADRD3
SCHEMBL12653557 0.94 HTR2B (0.81) HTR2BDRD2HTR2AHTR1ADRD3
SCHEMBL12653555 0.94 HTR2B (0.81) HTR2BDRD2HTR2AHTR1ADRD3
SCHEMBL19084389 0.90 HTR2B (0.89) HTR2BDRD2HTR2AHTR1ADRD3

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-9606132-B2 Methods of monitoring adherence to lurasidone therapy AMERITOX, LTD. (US) 2017-03-28 US disclosed