SCHEMBL19084396

SCHEMBL19084396

CCCC1C(O)C(C)C2C(=O)N(CC3CCCCC3CN3CCN(C(=N)c4ccccc4SC)CC3)C(=O)C12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 2/20 0.34
SLC6A2 P23975 4/20 0.34
SLC6A3 Q01959 4/20 0.34
DRD2 P14416 2/20 0.34
ADRA2C P18825 2/20 0.34
HTR2A P28223 2/20 0.34
KCNH2 Q12809 2/20 0.34
ABCB11 O95342 1/20 0.34
CHRM2 P08172 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
ADRA2B P18089 1/20 0.34
DRD1 P21728 1/20 0.34
TBXA2R P21731 1/20 0.34
ACHE P22303 1/20 0.34
PDE4A P27815 1/20 0.34
HTR2C P28335 1/20 0.34
CCKAR P32238 1/20 0.34
HTR7 P34969 1/20 0.34

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
SCHEMBL18672972 0.85 HTR2B (0.41) HTR2BSLC6A2SLC6A3DRD2ADRA2C
SCHEMBL16804117 0.85 HTR2B (0.41) HTR2BSLC6A2SLC6A3DRD2ADRA2C
SCHEMBL18673148 0.82 DRD2 (0.49) HTR2BSLC6A2SLC6A3DRD2ADRA2C
SCHEMBL16804119 0.82 DRD2 (0.49) HTR2BSLC6A2SLC6A3DRD2ADRA2C
SCHEMBL12654910 0.68 HTR2B (0.45) HTR2BSLC6A2SLC6A3DRD2ADRA2C
SCHEMBL18673181 0.66 DRD2 (0.69) HTR2BSLC6A2SLC6A3DRD2ADRA2C
SCHEMBL18673156 0.66 ALDH1A1 (0.44) HTR2BSLC6A2SLC6A3DRD2ADRA2C
SCHEMBL18673134 0.61
SCHEMBL12908690 0.59 DRD2 (0.43) HTR2BSLC6A2SLC6A3DRD2ADRA2C
SCHEMBL12942984 0.59 DRD2 (0.43) HTR2BSLC6A2SLC6A3DRD2ADRA2C

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-20170192025-A1 METHODS OF MONITORING ADHERENCE TO LURASIDONE THERAPY AMERITOX LLC (US) 2017-07-06 US disclosed