SCHEMBL13815409

SCHEMBL13815409

CC(=O)N1CCC(Oc2ccc(Cl)c(F)c2C=O)CC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 2/20 0.41
CHUK O15111 1/20 0.41
EGFR P00533 1/20 0.41
PDE4B Q07343 1/20 0.40
HRH1 P35367 3/20 0.39
CCR3 P51677 3/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
SCD O00767 1/20 0.38
RORC P51449 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
SCHEMBL13815410 0.86 IKBKB (0.48) IKBKBCHUKPDE4BKMT2AMEN1
SCHEMBL275342 0.85 GPR119 (0.54) PDE4B
SCHEMBL223707 0.76 GPR119 (0.45) IKBKBCHUKPDE4BKMT2AMEN1
SCHEMBL21764928 0.74 IKBKB (0.47) IKBKBCHUKPDE4BHRH1CCR3
SCHEMBL5864797 0.73 RORC (0.50) IKBKBCHUKEGFRPDE4BHRH1
SCHEMBL275679 0.72 GPR119 (0.54) PDE4B
SCHEMBL5248088 0.72 EPHX2 (0.47) HRH1KMT2AMEN1SCD
SCHEMBL13764677 0.71 IKBKB (0.50) IKBKBCHUKEGFRPDE4BKMT2A
SCHEMBL31276874 0.70 IKBKB (0.46) IKBKBCHUKPDE4BHRH1CCR3
SCHEMBL5864915 0.69 ALDH1A1 (0.49) IKBKBKMT2AMEN1SCDRORC

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-2009077357-A1 SPIROINDOLINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-06-25 WO disclosed