SCHEMBL4535235

SCHEMBL4535235

O=C(NCC1CCCN1S(=O)(=O)c1cccc(Cl)c1)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.47
HCRTR1 O43613 1/20 0.46
HCRTR2 O43614 1/20 0.46
ITGB1 P05556 1/20 0.44
ITGA4 P13612 1/20 0.44
ITGB7 P26010 1/20 0.44
BDKRB1 P46663 1/20 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
SCHEMBL4538141 0.97 BDKRB1 (0.46) RAB9AHCRTR1HCRTR2BDKRB1
SCHEMBL4542139 0.91 PAX8 (0.45) RAB9AHCRTR1HCRTR2BDKRB1
SCHEMBL4539543 0.89 RAB9A (0.47) RAB9A
SCHEMBL4533327 0.89 HTR1A (0.52) RAB9A
SCHEMBL4542333 0.88 PSEN1 (0.51)
SCHEMBL4538787 0.88 PSEN1 (0.51)
SCHEMBL4541859 0.88 RAB9A (0.54) RAB9A
SCHEMBL4541043 0.87 ITGB1 (0.44) ITGB1ITGA4ITGB7
SCHEMBL4542335 0.87 EPHX1 (0.48) RAB9AHCRTR1HCRTR2
SCHEMBL4530967 0.86 HTR7 (0.48) RAB9A

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