SCHEMBL8701504

SCHEMBL8701504

NS(=O)(=O)c1ccccc1OCCN1CCN(c2ccccc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.58
DRD3 P35462 4/20 0.58
DRD1 P21728 1/20 0.58
DRD5 P21918 1/20 0.58
HTR1A P08908 6/20 0.57
HRH3 Q9Y5N1 1/20 0.52
SIGMAR1 Q99720 4/20 0.50
HTR2A P28223 2/20 0.50
HRH1 P35367 2/20 0.50
TMEM97 Q5BJF2 2/20 0.50
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
CYP2D6 P10635 1/20 0.47
KCNH2 Q12809 1/20 0.47
POLB P06746 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45

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
SCHEMBL8705478 0.85 TDP1 (0.57) DRD2DRD3DRD1DRD5HRH3
SCHEMBL1957719 0.84 TSHR (0.58) DRD2DRD3DRD1DRD5HRH3
SCHEMBL7464010 0.80 HRH3 (0.69) DRD2DRD3HTR1AHRH3SIGMAR1
SCHEMBL32689498 0.79 MEN1 (0.52) DRD3HTR1AHRH3CYP2D6POLB
SCHEMBL10794504 0.77 DRD2 (0.66) DRD2DRD3DRD1DRD5HTR1A
SCHEMBL32689500 0.75 KDM4E (0.50) HRH3SIGMAR1HRH1CYP2D6KCNH2
SCHEMBL10863756 0.75 SIGMAR1 (0.49) DRD2HTR1ASIGMAR1HTR2AKCNH2
SCHEMBL8692475 0.74 HTR1A (0.75) DRD2DRD3DRD1DRD5HTR1A
SCHEMBL10860089 0.73 KCNH2 (0.62) DRD2DRD3DRD1DRD5HTR1A
SCHEMBL7007212 0.71 POLB (0.56) DRD1DRD5CYP2D6POLBCA12

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-5814631-A CHYMASE INHIBITOR, CARDIVASCULAR SUNTORY LIMITED (JP) 1998-09-29 US disclosed