SCHEMBL8051885

SCHEMBL8051885

NC(=O)CC1CCCCN1S(=O)(=O)c1cccc(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 2/20 0.53
ALDH1A1 P00352 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
PSEN1 P49768 2/20 0.50
PSEN2 P49810 2/20 0.50
APH1B Q8WW43 2/20 0.50
NCSTN Q92542 2/20 0.50
APH1A Q96BI3 2/20 0.50
PSENEN Q9NZ42 2/20 0.50
HCRTR1 O43613 1/20 0.48
HCRTR2 O43614 1/20 0.48
HTR6 P50406 2/20 0.45
KCNQ1 P51787 1/20 0.44
LOX P28300 1/20 0.44
NPSR1 Q6W5P4 2/20 0.44
HTR7 P34969 4/20 0.43
HTR1B P28222 3/20 0.43
DRD3 P35462 3/20 0.43
CYP2D6 P10635 2/20 0.43

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
SCHEMBL5808164 0.83 PSEN1 (0.56) BDKRB1ALDH1A1MEN1KMT2APSEN1
SCHEMBL8060028 0.82 HTR7 (0.61) HTR6LOXNPSR1HTR7HTR1B
SCHEMBL5809151 0.82 PSEN1 (0.57) BDKRB1ALDH1A1MEN1KMT2APSEN1
SCHEMBL8069484 0.82 PSEN1 (0.62) ALDH1A1MEN1KMT2APSEN1PSEN2
SCHEMBL4543050 0.80 BDKRB1 (0.52) BDKRB1ALDH1A1MEN1KMT2APSEN1
SCHEMBL8060049 0.79 ALDH1A1 (0.47) ALDH1A1KMT2APSEN1PSEN2APH1B
SCHEMBL5805423 0.78 HTR7 (0.53) ALDH1A1MEN1KMT2APSEN1PSEN2
SCHEMBL4538143 0.77 RAB9A (0.50) BDKRB1ALDH1A1MEN1KMT2APSEN1
SCHEMBL4536998 0.76 BDKRB1 (0.49) BDKRB1ALDH1A1MEN1KMT2AHCRTR1
Hydrochloric Acid SCHEMBL4616077 0.76 FFAR1 (0.53) MEN1KMT2AHTR6HTR7DRD3

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
WO-2009070497-A1 SEH AND 11 β-HSD1 INHIBITORS AND THEIR USE SMITHKLINE BEECHAM CORPORATION (US) 2009-06-04 WO disclosed