SCHEMBL4538141

SCHEMBL4538141

O=C(NCC1CCCCN1S(=O)(=O)c1cccc(Cl)c1)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 1/20 0.46
RAB9A P51151 2/20 0.44
HCRTR1 O43613 1/20 0.43
HCRTR2 O43614 1/20 0.43
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 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
HSD11B1 P28845 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
SCHEMBL4535235 0.97 RAB9A (0.47) BDKRB1RAB9AHCRTR1HCRTR2
SCHEMBL4541043 0.90 ITGB1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4530967 0.90 HTR7 (0.48) RAB9A
SCHEMBL8062041 0.89 RAB9A (0.47) RAB9AALDH1A1
SCHEMBL4536848 0.89 HTR1A (0.48) RAB9A
SCHEMBL4535933 0.88 PSEN1 (0.56) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL4537565 0.88 RAB9A (0.51) RAB9AALDH1A1
SCHEMBL4542139 0.88 PAX8 (0.45) BDKRB1RAB9AHCRTR1HCRTR2
SCHEMBL4542596 0.87 MAPT (0.44) RAB9AHCRTR1HCRTR2MEN1ALDH1A1
SCHEMBL4539341 0.87 EPHX1 (0.48) BDKRB1RAB9AHSD11B1

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