SCHEMBL8058321

SCHEMBL8058321

Cc1cccc(S(=O)(=O)N2CCCCC2CC(=O)N[C@@]23CC4CCC[C@@H](CC4C2)C3)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.46
HTR1A P08908 2/20 0.46
DRD2 P14416 2/20 0.46
HTR1D P28221 2/20 0.46
HTR1B P28222 2/20 0.46
DRD3 P35462 2/20 0.46
EPHX2 P34913 1/20 0.41
BDKRB1 P46663 12/20 0.40
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
CYP2D6 P10635 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP1A2 P05177 1/20 0.38
HTR2B P41595 1/20 0.38
HTR5A P47898 1/20 0.38
HTR6 P50406 1/20 0.38
HTR4 Q13639 1/20 0.38

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
SCHEMBL4537661 0.90 HTR1A (0.48) HTR7HTR1ADRD2HTR1DHTR1B
SCHEMBL8062136 0.90 BDKRB1 (0.45) BDKRB1
SCHEMBL4542494 0.88 HTR7 (0.52) HTR7HTR1ADRD2HTR1DHTR1B
SCHEMBL4535231 0.88 HTR7 (0.52) HTR7HTR1ADRD2HTR1DHTR1B
SCHEMBL8049742 0.85 EPHX2 (0.39) HTR7HTR1ADRD2HTR1DDRD3
SCHEMBL8062139 0.84 RAB9A (0.43) HTR7LMNA
SCHEMBL8070991 0.84 HSD11B1 (0.53)
SCHEMBL4543050 0.80 BDKRB1 (0.52) BDKRB1USP2LMNA
SCHEMBL4540868 0.79 BDKRB1 (0.49) BDKRB1
SCHEMBL4537242 0.79 NPC1 (0.53) EPHX2BDKRB1

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