SCHEMBL16229130

SCHEMBL16229130

O=C1[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)N1C[C@@H]1CCCC[C@H]1CN1CCN(C2=NCc3ccccc32)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 13/20 0.62
HTR2A P28223 11/20 0.62
HTR1A P08908 10/20 0.62
HTR7 P34969 7/20 0.62
HTR2C P28335 3/20 0.62
ADRA2C P18825 2/20 0.62
HTR2B P41595 2/20 0.62
ADRA1A P35348 2/20 0.62
HRH1 P35367 2/20 0.62
KCNH2 Q12809 2/20 0.62
ABCB11 O95342 1/20 0.62
CHRM2 P08172 1/20 0.62
ADRA2A P08913 1/20 0.62
ADORA3 P0DMS8 1/20 0.62
ADRA2B P18089 1/20 0.62
DRD1 P21728 1/20 0.62
TBXA2R P21731 1/20 0.62
ACHE P22303 1/20 0.62
SLC6A2 P23975 1/20 0.62
PDE4A P27815 1/20 0.62

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
SCHEMBL12445891 1.00 DRD2 (0.62) DRD2HTR2AHTR1AHTR7HTR2C
SCHEMBL2540314 0.79 DRD2 (0.63) DRD2HTR2AHTR1AHTR7HTR2C
SCHEMBL2545280 0.78 DRD2 (0.66) DRD2HTR2AHTR1AHTR7HTR2C
Lurasidone SCHEMBL2587434 0.77 DRD2 (1.00) DRD2HTR2AHTR1AHTR7HTR2C
Lurasidone SCHEMBL19678283 0.77 DRD2 (1.00) DRD2HTR2AHTR1AHTR7HTR2C
Lurasidone SCHEMBL2120201 0.77 DRD2 (1.00) DRD2HTR2AHTR1AHTR7HTR2C
Lurasidone SCHEMBL10034018 0.77 DRD2 (1.00) DRD2HTR2AHTR1AHTR7HTR2C
Lurasidone SCHEMBL677525 0.77 DRD2 (1.00) DRD2HTR2AHTR1AHTR7HTR2C
Lurasidone SCHEMBL21702794 0.77 DRD2 (1.00) DRD2HTR2AHTR1AHTR7HTR2C
Lurasidone SCHEMBL16804108 0.77 DRD2 (1.00) DRD2HTR2AHTR1AHTR7HTR2C

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-8883794-B2 Pharmaceutical composition SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2014-11-11 US disclosed