SCHEMBL9923484

SCHEMBL9923484

O=C(O)c1ccc(C2(NC(=O)c3cc(Cl)cnc3N3CCCC3)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 7/20 0.45
PTGDR Q13258 2/20 0.45
SCN10A Q9Y5Y9 3/20 0.43
CNR2 P34972 1/20 0.42
SERPINE1 P05121 2/20 0.40
OPRK1 P41145 1/20 0.39
TBXA2R P21731 1/20 0.39
PTGER1 P34995 1/20 0.39
PTGFR P43088 1/20 0.39
PTGER3 P43115 1/20 0.39
PTGER2 P43116 1/20 0.39
SLC6A9 P48067 1/20 0.38
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
F10 P00742 1/20 0.37
TP53 P04637 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37

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
SCHEMBL9923402 0.89 OPRK1 (0.48) SCN10AOPRK1ROCK2ROCK1TP53
SCHEMBL9900655 0.84 PTGER4 (0.43) PTGER4PTGDRSCN10ATBXA2RPTGER1
SCHEMBL9900575 0.83 LMNA (0.46) PTGER4PTGDRSCN10AOPRK1SLC6A9
SCHEMBL9900633 0.83 LMNA (0.46) PTGER4PTGDRSCN10AOPRK1SLC6A9
SCHEMBL9900804 0.83 PTGER4 (0.41) PTGER4PTGDRTBXA2RPTGER1PTGFR
SCHEMBL9900285 0.82 PTGER4 (0.42) PTGER4PTGDROPRK1
SCHEMBL9900684 0.81 SCN9A (0.45) PTGER4PTGDRSLC6A9
SCHEMBL9900441 0.81 PTGER4 (0.45) PTGER4PTGDRSCN10APTGER2
SCHEMBL9900176 0.81 PTGER4 (0.41) PTGER4PTGDRSCN10ATBXA2RPTGER1
SCHEMBL9900688 0.81 PTGER4 (0.41) PTGER4PTGDRTBXA2RPTGER1PTGFR

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-B1 PYRIDINE AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS Rottapharm Biotech Srl (IT) 2015-05-13 EP disclosed
WO-2012076063-A1 PYRIDINE AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS ROTTAPHARM S.P.A. (IT) 2012-06-14 WO disclosed