SCHEMBL4536852

SCHEMBL4536852

Cc1cccc(S(=O)(=O)N2CCCCC2CNC(=O)[C]2CCCCCCC2)c1.[CH2].[CH2]

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.52
DRD2 P14416 1/20 0.52
HTR1D P28221 1/20 0.52
HTR1B P28222 1/20 0.52
HTR7 P34969 1/20 0.52
DRD3 P35462 1/20 0.52
RAB9A P51151 3/20 0.52
EPHX2 P34913 1/20 0.46

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
SCHEMBL4533331 0.97 HTR1A (0.56) HTR1ADRD2HTR1DHTR1BHTR7
SCHEMBL4530970 0.89 HTR7 (0.52) HTR1ADRD2HTR1DHTR1BHTR7
SCHEMBL4538143 0.88 RAB9A (0.50) RAB9A
SCHEMBL4535259 0.88 RAB9A (0.55) RAB9A
SCHEMBL4537566 0.88 RAB9A (0.57) RAB9A
SCHEMBL4539820 0.88 RAB9A (0.67) HTR7RAB9A
SCHEMBL4535468 0.87 HTR7 (0.59) HTR1ADRD2HTR1DHTR1BHTR7
SCHEMBL4542098 0.87 HTR1A (0.48) HTR1ADRD2HTR1DHTR1BHTR7
SCHEMBL4535237 0.85 RAB9A (0.53) RAB9A
SCHEMBL4539544 0.85 RAB9A (0.53) 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 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