SCHEMBL8063759

SCHEMBL8063759

Cc1cccc(S(=O)(=O)N2CCCCC2CNC(=O)N[C@]23CC4C[C@H]5C[C@H](C2)C3(C4)C5)c1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.42
DRD2 P14416 1/20 0.42
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42
HTR7 P34969 1/20 0.42
DRD3 P35462 1/20 0.42
RAB9A P51151 3/20 0.41
EPHX2 P34913 1/20 0.37

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
SCHEMBL8066636 0.90 RAB9A (0.46) RAB9A
SCHEMBL8053617 0.90 RAB9A (0.44) RAB9AEPHX2
SCHEMBL4542096 0.87 HTR1A (0.47) HTR1ADRD2HTR1DHTR1BHTR7
SCHEMBL8060221 0.85 HTR1A (0.43) HTR1ADRD2HTR1DHTR1BHTR7
SCHEMBL8062526 0.85 NPC1 (0.38) RAB9AEPHX2
SCHEMBL8068354 0.85 PSEN1 (0.47) EPHX2
SCHEMBL8062528 0.85 RAB9A (0.50) RAB9A
SCHEMBL8061501 0.84 HSD11B1 (0.49)
SCHEMBL8064947 0.84 HTR1A (0.50) HTR1ADRD2HTR1DHTR1BHTR7
SCHEMBL4537195 0.84 HTR1A (0.50) HTR1ADRD2HTR1DHTR1BHTR7

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 disclosed