SCHEMBL9905720

SCHEMBL9905720

O=C(O)c1ccc(F)nc1N1CC(Oc2cccc(OC(F)(F)F)c2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 4/20 0.45
NOTUM Q6P988 1/20 0.43
LIPG Q9Y5X9 3/20 0.43
MGLL Q99685 1/20 0.42
ABHD6 Q9BV23 1/20 0.42
DHODH Q02127 3/20 0.41
ACACB O00763 1/20 0.40
EPHX2 P34913 1/20 0.39
LIPC P11150 1/20 0.38
FPR2 P25090 1/20 0.38
RBP4 P02753 1/20 0.38
KDM5A P29375 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
KDM5B Q9UGL1 1/20 0.37
PDE9A O76083 1/20 0.37
RUNX1 Q01196 1/20 0.37
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4D Q08499 1/20 0.36
HSD11B1 P28845 1/20 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
SCHEMBL9901002 0.82 LIPG (0.44) SCN9ANOTUMLIPGMGLLABHD6
SCHEMBL9901277 0.80 PTGER4 (0.48) SCN9ANOTUMLIPGMGLLABHD6
SCHEMBL9901603 0.79 SCN10A (0.49) SCN9ANOTUMLIPGMGLLABHD6
SCHEMBL15294748 0.79 DHODH (0.48) SCN9ANOTUMLIPGMGLLABHD6
SCHEMBL9905719 0.78 SCN9A (0.44) SCN9ANOTUMLIPGMGLLABHD6
SCHEMBL9923507 0.73 LIPG (0.53) SCN9ALIPGMGLLABHD6ACACB
SCHEMBL9901292 0.73 SCN9A (0.44) SCN9ALIPGDHODHACACB
SCHEMBL9901949 0.71 PTGER4 (0.45) SCN9ALIPGMGLLABHD6DHODH
SCHEMBL15294743 0.70 SCN9A (0.44) SCN9ANOTUMLIPGDHODHACACB
SCHEMBL9900671 0.69 LIPG (0.50) SCN9ALIPGMGLLABHD6ACACB

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-2649061-A1 PYRIDINE AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS Rottapharm S.p.A. (IT) 2013-10-16 EP disclosed
WO-2012076063-A1 PYRIDINE AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS ROTTAPHARM S.P.A. (IT) 2012-06-14 WO disclosed