SCHEMBL27600253

SCHEMBL27600253

CCc1nc(C)cn1-c1ccc(CCNC(=O)NS(=O)(=O)c2ccc(CN)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 7/20 0.57
CA12 O43570 7/20 0.52
CA1 P00915 7/20 0.52
CA2 P00918 7/20 0.52
CA9 Q16790 7/20 0.52
CYP2C9 P11712 3/20 0.41
LMNA P02545 3/20 0.41
TSHR P16473 3/20 0.41
CYP3A4 P08684 2/20 0.41
NFKB1 P19838 2/20 0.41
CYP2C19 P33261 2/20 0.41
ADRA1A P35348 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HTR1A P08908 1/20 0.41
MAPT P10636 1/20 0.41
CNR1 P21554 1/20 0.41
BLM P54132 1/20 0.41
ALDH1A1 P00352 2/20 0.41
ALB P02768 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL27877474 0.87 PTGER4 (0.50) PTGER4CA12CA1CA2CA9
SCHEMBL27894307 0.85 PTGER4 (0.58) PTGER4CA12CA1CA2CA9
SCHEMBL6178493 0.81 PTGER4 (0.51) PTGER4CA12CA1CA2CA9
SCHEMBL27582829 0.80 PTGER4 (0.63) PTGER4CA12CA1CA2CA9
SCHEMBL4446894 0.80 PTGER4 (0.58) PTGER4CA12CA1CA2CA9
SCHEMBL27600110 0.80 PTGER4 (0.56) PTGER4CA12CA1CA2CA9
SCHEMBL27894309 0.80 PTGER4 (0.50) PTGER4CA12CA1CA2CA9
SCHEMBL6177112 0.80 CA1 (0.55) PTGER4CA12CA1CA2CA9
SCHEMBL27894306 0.79 PTGER4 (0.55) PTGER4CA12CA1CA2CA9
SCHEMBL27600135 0.79 PTGER4 (0.64) PTGER4CA12CA1CA2CA9

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
CN-100579518-C Use of EP4 receptor ligands for the manufacture of a medicament for the treatment of IL-6 related disorders PFIZER 2010-01-13 CN disclosed
CN-101023946-A Use of EP4 receptor ligands in the treatment of IL-6 involved diseases PFIZER (US) 2007-08-29 CN disclosed
CN-1658847-A Use of EP4 receptor ligands for the treatment of IL-6 related disorders PFIZER (US) 2005-08-24 CN disclosed
CN-1477960-A EPA receptor inhibitors to treat rheumatoid arthritis 2004-02-25 CN disclosed