SCHEMBL4535237

SCHEMBL4535237

O=C(NCC1CCCN1S(=O)(=O)c1cccc(Cl)c1)[C]1CCCCCCC1.[CH2].[CH2]

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.53
HCRTR1 O43613 1/20 0.47
HCRTR2 O43614 1/20 0.47
BDKRB1 P46663 1/20 0.46
ITGB1 P05556 1/20 0.45
ITGA4 P13612 1/20 0.45
ITGB7 P26010 1/20 0.45
HTR6 P50406 1/20 0.44

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
SCHEMBL4538143 0.97 RAB9A (0.50) RAB9AHCRTR1HCRTR2BDKRB1ITGB1
SCHEMBL4542142 0.90 HTR7 (0.46) RAB9AHCRTR1HCRTR2BDKRB1HTR6
SCHEMBL4533331 0.88 HTR1A (0.56) RAB9A
SCHEMBL4539544 0.88 RAB9A (0.53) RAB9A
SCHEMBL4542334 0.88 PSEN1 (0.53) RAB9A
SCHEMBL4538792 0.88 PSEN1 (0.53) RAB9A
SCHEMBL4541860 0.87 RAB9A (0.61) RAB9A
SCHEMBL4541044 0.87 CNR1 (0.45) RAB9AITGB1ITGA4ITGB7
SCHEMBL4542338 0.86 HCRTR1 (0.48) RAB9AHCRTR1HCRTR2BDKRB1ITGB1
SCHEMBL4530970 0.86 HTR7 (0.52) RAB9AHTR6

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