SCHEMBL4537065

SCHEMBL4537065

O=C(NCC1CCCCN1S(=O)(=O)c1ccc(O)c(Cl)c1)[C]1CCCCCCC1.[CH2].[CH2]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
RAB9A P51151 1/20 0.43
HTR7 P34969 2/20 0.43
PSEN1 P49768 2/20 0.43
PSEN2 P49810 2/20 0.43
APH1B Q8WW43 2/20 0.43
NCSTN Q92542 2/20 0.43
APH1A Q96BI3 2/20 0.43
PSENEN Q9NZ42 2/20 0.43
HTR1A P08908 1/20 0.43
DRD2 P14416 1/20 0.43
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43
HTR1E P28566 1/20 0.43
ADRA1B P35368 1/20 0.43
DRD3 P35462 1/20 0.43
TP53 P04637 2/20 0.41
BDKRB1 P46663 1/20 0.41
POLB P06746 1/20 0.41
PAX8 Q06710 1/20 0.40

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
SCHEMBL4542597 0.90 MAPT (0.45) TSHRRAB9AHTR7PSEN1PSEN2
SCHEMBL4535937 0.87 PSEN1 (0.58) RAB9APSEN1PSEN2APH1BNCSTN
SCHEMBL4531295 0.86 RAB9A (0.43) TSHRRAB9APSEN1PSEN2APH1B
SCHEMBL4541108 0.86 NPBWR1 (0.52) TSHRRAB9AHTR7PSEN1PSEN2
SCHEMBL4537004 0.86 RAB9A (0.49) TSHRRAB9ADRD2DRD3PAX8
SCHEMBL4538143 0.85 RAB9A (0.50) RAB9APSEN1PSEN2APH1BNCSTN
SCHEMBL4541044 0.85 CNR1 (0.45) RAB9APSEN1PSEN2APH1BNCSTN
SCHEMBL4534376 0.85 PSEN1 (0.40) RAB9APSEN1PSEN2APH1BNCSTN
SCHEMBL4530970 0.84 HTR7 (0.52) RAB9AHTR7HTR1ADRD2HTR1D
SCHEMBL4538792 0.84 PSEN1 (0.53) RAB9APSEN1PSEN2APH1BNCSTN

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