SCHEMBL9900633

SCHEMBL9900633

O=C(O)c1ccc(C2(NC(=O)c3cc(Cl)cnc3N3CCC(c4ccccc4)C3)CC2)cc1.O=C(O)c1ccc(C2(NC(=O)c3cc(Cl)cnc3N3CCC(c4ccccc4)C3)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
CTSS P25774 3/20 0.41
CAPN1 P07384 1/20 0.41
HSD11B1 P28845 5/20 0.41
PTGER4 P35408 3/20 0.40
PTGDR Q13258 1/20 0.40
OPRK1 P41145 3/20 0.38
SLC6A9 P48067 1/20 0.37
PDE10A Q9Y233 1/20 0.37
WDR91 A4D1P6 1/20 0.36
SCN10A Q9Y5Y9 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
SCHEMBL9900575 1.00 LMNA (0.46) LMNAMAPTCTSSCAPN1HSD11B1
SCHEMBL9900082 0.93 LMNA (0.41) LMNAMAPTCTSSCAPN1HSD11B1
SCHEMBL9900634 0.93 MAPT (0.42) LMNAMAPTCTSSCAPN1HSD11B1
SCHEMBL9901212 0.92 OPRK1 (0.45) LMNAMAPTCTSSCAPN1HSD11B1
SCHEMBL9900085 0.87 MAPT (0.38) LMNAMAPTCTSSCAPN1HSD11B1
SCHEMBL9900285 0.86 PTGER4 (0.42) CTSSPTGER4PTGDROPRK1
SCHEMBL9923484 0.83 PTGER4 (0.45) PTGER4PTGDROPRK1SLC6A9SCN10A
SCHEMBL9900684 0.83 SCN9A (0.45) MAPTHSD11B1PTGER4PTGDRSLC6A9
SCHEMBL9900804 0.82 PTGER4 (0.41) PTGER4PTGDR
SCHEMBL9900015 0.81 CTSS (0.43) CTSSPTGER4PTGDR

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 claimed
WO-2012076063-A1 PYRIDINE AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS ROTTAPHARM S.P.A. (IT) 2012-06-14 WO claimed