SCHEMBL8064947

SCHEMBL8064947

Cc1cccc(S(=O)(=O)N2CCCC2CNC(=O)NC23CC4C[C@H](C2)C[C@@H](C4)C3)c1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.50
DRD2 P14416 1/20 0.50
HTR1D P28221 1/20 0.50
HTR1B P28222 1/20 0.50
HTR7 P34969 1/20 0.50
DRD3 P35462 1/20 0.50
RAB9A P51151 3/20 0.48
EPHX2 P34913 5/20 0.47
EPHX1 P07099 4/20 0.47
USP2 O75604 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL4537195 1.00 HTR1A (0.50) HTR1ADRD2HTR1DHTR1BHTR7
SCHEMBL4542096 0.97 HTR1A (0.47) HTR1ADRD2HTR1DHTR1BHTR7
SCHEMBL4542335 0.89 EPHX1 (0.48) RAB9AEPHX2EPHX1USP2LMNA
SCHEMBL4542345 0.88 EPHX2 (0.56) RAB9AEPHX2EPHX1
SCHEMBL4535231 0.87 HTR7 (0.52) HTR1ADRD2HTR1DHTR1BHTR7
SCHEMBL4542494 0.87 HTR7 (0.52) HTR1ADRD2HTR1DHTR1BHTR7
SCHEMBL4533327 0.87 HTR1A (0.52) HTR1ADRD2HTR1DHTR1BHTR7
SCHEMBL8064960 0.86 EPHX2 (0.50) RAB9AEPHX2EPHX1
SCHEMBL4539341 0.86 EPHX1 (0.48) RAB9AEPHX2EPHX1USP2LMNA
SCHEMBL4542837 0.86 RAB9A (0.53) RAB9AEPHX2EPHX1LMNA

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