SCHEMBL3638166

SCHEMBL3638166

CC(C)COC(=O)N1CCC(NS(=O)(=O)c2ccc(-c3ccnc4c3cc(C(F)F)n4S(=O)(=O)c3ccccc3)nc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 4/20 0.40
GPR119 Q8TDV5 3/20 0.40
IKBKB O14920 1/20 0.39
CHUK O15111 1/20 0.39
KDM4E B2RXH2 1/20 0.37
HSD17B10 Q99714 1/20 0.37
F13A1 P00488 1/20 0.37
TGM2 P21980 1/20 0.37
TGM1 P22735 1/20 0.37
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HTR1A P08908 2/20 0.36
HTR7 P34969 2/20 0.36
HTT P42858 1/20 0.36
SFRP1 Q8N474 2/20 0.36

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
SCHEMBL2984447 0.89 SFRP1 (0.47) CCR8GPR119IKBKBCHUKSFRP1
SCHEMBL2985375 0.82 IKBKB (0.47) IKBKBCHUKALDH1A1HTR1AHTR7
SCHEMBL2985378 0.81 IKBKB (0.56) IKBKBCHUKALDH1A1HTR1AHTR7
SCHEMBL13241047 0.75 PTGDR2 (0.36)
SCHEMBL2984105 0.73 IKBKB (0.53) IKBKBCHUKHTR1AHTR7
SCHEMBL2984107 0.73 IKBKB (0.63) IKBKBCHUK
SCHEMBL3635894 0.72 ALDH1A1 (0.54) GPR119KDM4EHSD17B10F13A1TGM2
SCHEMBL3415802 0.72 IKBKB (0.46) IKBKBCHUKHTR1AHTR7
SCHEMBL3415805 0.71 IKBKB (0.54) IKBKBCHUKHTR1AHTR7
SCHEMBL3415349 0.69 IKBKB (0.42) IKBKBCHUKHTR1AHTR7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2162455-A2 PYRROLOPYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS Glaxo Group Limited (GB) 2010-03-17 EP disclosed
WO-2008145688-A2 PYRROLOPYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS GLAXO GROUP LIMITED (GB) 2008-12-04 WO disclosed