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Sugi Predict / Compounds / SCHEMBL9900936

SCHEMBL9900936

SCHEMBL9900936

O=C(O)c1ccc(C2(NC(=O)c3cc(Cl)cnc3N3CC(C(=O)c4cccc(F)c4)C3)CC2)cc1.O=C(O)c1ccc(CNC(=O)c2cc(Cl)cnc2N2CC(Oc3cccc(F)c3)C2)cc1.O=C(O)c1ccc(CNC(=O)c2cc(Cl)cnc2N2CC(Oc3cccc(F)c3)C2)nc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 11/20 0.41
▸ PTGER2 P43116 4/20 0.41
▸ PTGDR Q13258 2/20 0.35
▸ SCN9A Q15858 1/20 0.33
▸ DGAT2 Q96PD7 2/20 0.33
▸ TBXA2R P21731 1/20 0.33
▸ PTGER1 P34995 1/20 0.33
▸ PTGFR P43088 1/20 0.33
▸ PTGER3 P43115 1/20 0.33
▸ MMP13 P45452 2/20 0.32
▸ CTSS P25774 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31

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
SCHEMBL9901950 1.00 PTGER4 (0.41) PTGER4PTGER2PTGDRSCN9ADGAT2
SCHEMBL9900114 0.86 PTGER4 (0.37) PTGER4PTGER2PTGDRSCN9ADGAT2
SCHEMBL9900983 0.85 PTGER4 (0.45) PTGER4PTGER2SCN9ADGAT2MEN1
SCHEMBL9900881 0.85 PTGER4 (0.47) PTGER4PTGER2PTGDRSCN9ATBXA2R
SCHEMBL9900447 0.84 CTSS (0.41) PTGER4PTGER2PTGDRTBXA2RPTGER1
SCHEMBL9900101 0.84 PTGER4 (0.46) PTGER4PTGER2PTGDRSCN9ATBXA2R
SCHEMBL9900185 0.83 PTGER4 (0.56) PTGER4PTGER2SCN9ADGAT2MMP13
SCHEMBL9923511 0.80 PTGER4 (0.44) PTGER4PTGER2SCN9A
SCHEMBL9900478 0.80 PTGER4 (0.45) PTGER4PTGER2PTGDRSCN9ACTSS
SCHEMBL9900494 0.80 PTGER4 (0.45) PTGER4PTGER2PTGDRSCN9ACTSS

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 4 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
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