SCHEMBL4539344

SCHEMBL4539344

O=C(NCC1CCCCN1S(=O)(=O)c1cccc(Cl)c1)N[C]1CCCCCCC1.[CH2].[CH2]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 1/20 0.48
EPHX1 P07099 1/20 0.45
EPHX2 P34913 1/20 0.45
HCRTR1 O43613 1/20 0.45
HCRTR2 O43614 1/20 0.45
RAB9A P51151 2/20 0.45
FBP1 P09467 1/20 0.44
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
KCNQ1 P51787 1/20 0.42
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
ITGB1 P05556 1/20 0.41
ITGA4 P13612 1/20 0.41
ITGB7 P26010 1/20 0.41

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
SCHEMBL4542338 0.97 HCRTR1 (0.48) BDKRB1EPHX1EPHX2HCRTR1HCRTR2
SCHEMBL4542098 0.89 HTR1A (0.48) EPHX2RAB9A
SCHEMBL4539999 0.88 PSEN1 (0.56) BDKRB1RAB9AALDH1A1PSEN1PSEN2
SCHEMBL4538143 0.87 RAB9A (0.50) BDKRB1HCRTR1HCRTR2RAB9AMEN1
SCHEMBL4537198 0.86 HTR1A (0.52) RAB9A
SCHEMBL4537322 0.85 PSEN1 (0.51) HCRTR1HCRTR2RAB9APSEN1PSEN2
SCHEMBL4542349 0.85 RAB9A (0.54) RAB9AALDH1A1
SCHEMBL4539656 0.85 POLB (0.40) BDKRB1EPHX1EPHX2HCRTR1HCRTR2
SCHEMBL4535237 0.83 RAB9A (0.53) BDKRB1HCRTR1HCRTR2RAB9AITGB1
SCHEMBL4534767 0.83 FAAH (0.41) EPHX2MEN1ALDH1A1KMT2AKCNQ1

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