SCHEMBL4542597

SCHEMBL4542597

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.45
THRB P10828 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PSEN1 P49768 2/20 0.44
PSEN2 P49810 2/20 0.44
APH1B Q8WW43 2/20 0.44
NCSTN Q92542 2/20 0.44
APH1A Q96BI3 2/20 0.44
PSENEN Q9NZ42 2/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TSHR P16473 1/20 0.43
RAB9A P51151 2/20 0.42
HTR7 P34969 2/20 0.42
HTR1A P08908 1/20 0.42
DRD2 P14416 1/20 0.42
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42
HTR1E P28566 1/20 0.42
ADRA1B P35368 1/20 0.42

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
SCHEMBL4537065 0.90 TSHR (0.44) SMN1; SMN2PSEN1PSEN2APH1BNCSTN
SCHEMBL4531295 0.90 RAB9A (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4535937 0.88 PSEN1 (0.58) MAPTPSEN1PSEN2APH1BNCSTN
SCHEMBL4538143 0.87 RAB9A (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4541044 0.86 CNR1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4536845 0.86 RAB9A (0.52) MAPTSMN1; SMN2TSHRRAB9AHTR7
SCHEMBL4542909 0.86 TP53 (0.47) MAPTPSEN1PSEN2APH1BNCSTN
SCHEMBL4541108 0.85 NPBWR1 (0.52) MAPTSMN1; SMN2PSEN1PSEN2APH1B
SCHEMBL4538792 0.85 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4542334 0.85 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A

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 claimed