SCHEMBL19084441

SCHEMBL19084441

CCC[C@@H]1C[C@H](C)C2C(=O)N(CC3CCCCC3CN3CCN(c4nsc5ccccc45)CC3)C(=O)C21

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 12/20 0.72
HTR2A P28223 12/20 0.72
HTR1A P08908 12/20 0.72
DRD3 P35462 8/20 0.72
ADRA2C P18825 2/20 0.72
HTR2B P41595 2/20 0.72
CHRM2 P08172 2/20 0.72
ADRA2A P08913 2/20 0.72
DRD1 P21728 2/20 0.72
TBXA2R P21731 2/20 0.72
SLC6A2 P23975 2/20 0.72
HTR7 P34969 2/20 0.72
ADRA1A P35348 2/20 0.72
SLC6A3 Q01959 2/20 0.72
KCNH2 Q12809 2/20 0.72
ABCB11 O95342 1/20 0.72
ADORA3 P0DMS8 1/20 0.72
ADRA2B P18089 1/20 0.72
ACHE P22303 1/20 0.72
PDE4A P27815 1/20 0.72

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
SCHEMBL19772731 0.93 DRD2 (0.72) DRD2HTR2AHTR1ADRD3ADRA2C
SCHEMBL12653143 0.92 DRD2 (0.81) DRD2HTR2AHTR1ADRD3ADRA2C
SCHEMBL12653550 0.92 DRD2 (0.81) DRD2HTR2AHTR1ADRD3ADRA2C
SCHEMBL12653640 0.92 DRD2 (0.81) DRD2HTR2AHTR1ADRD3ADRA2C
SCHEMBL15691222 0.87 DRD2 (0.71) DRD2HTR2AHTR1ADRD3ADRA2C
SCHEMBL20029954 0.85 DRD2 (0.94) DRD2HTR2AHTR1ADRD3ADRA2C
Lurasidone SCHEMBL15505744 0.84 DRD2 (1.00) DRD2HTR2AHTR1ADRD3ADRA2C
Lurasidone SCHEMBL10034018 0.84 DRD2 (1.00) DRD2HTR2AHTR1ADRD3ADRA2C
Lurasidone SCHEMBL21702794 0.84 DRD2 (1.00) DRD2HTR2AHTR1ADRD3ADRA2C
Lurasidone SCHEMBL16804108 0.84 DRD2 (1.00) DRD2HTR2AHTR1ADRD3ADRA2C

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