SCHEMBL3370516

SCHEMBL3370516

CCNC(=O)c1ccc(Oc2c(C)n(CC(=O)OC)c3ccc(Cl)cc23)cc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 9/20 0.55
AKR1B1 P15121 1/20 0.44
PTGS2 P35354 3/20 0.43
CNR2 P34972 1/20 0.41
AKR1C3 P42330 1/20 0.41
RORC P51449 1/20 0.39
MAPT P10636 2/20 0.39
MAPK8 P45983 1/20 0.39
MAPK9 P45984 1/20 0.39
PTGDR Q13258 1/20 0.39
TP53 P04637 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL2031573 0.91 PTGDR2 (0.67) PTGDR2AKR1B1PTGS2PTGDR
SCHEMBL3375010 0.90 PTGDR2 (0.57) PTGDR2AKR1B1PTGS2CNR2AKR1C3
SCHEMBL3370888 0.90 PTGDR2 (0.57) PTGDR2AKR1B1RORCMAPTTP53
SCHEMBL3374154 0.88 PTGDR2 (0.55) PTGDR2AKR1B1PTGS2CNR2AKR1C3
SCHEMBL2053285 0.81 PTGDR2 (0.70) PTGDR2AKR1B1MAPTPTGDR
SCHEMBL3373960 0.81 PTGDR2 (0.70) PTGDR2AKR1B1
SCHEMBL2052563 0.80 PTGDR2 (0.71) PTGDR2AKR1B1PTGS2AKR1C3MAPT
SCHEMBL3369841 0.80 PTGDR2 (0.59) PTGDR2AKR1B1MAPTTP53LMNA
SCHEMBL3374906 0.80 PTGDR2 (0.54) PTGDR2AKR1B1PTGS2CNR2AKR1C3
SCHEMBL3373433 0.79 PTGDR2 (0.67) PTGDR2AKR1B1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1656347-B1 SUBSTITUTED INDOLE DERIVATIVES FOR PHARMACEUTICAL COMPOSITION FOR TREATING RESPIRATORY DISEASES ASTRAZENECA AB (SE) 2010-10-13 EP disclosed
EP-1656347-A1 SUBSTITUTED INDOLE DERIVATIVES FOR PHARMACEUTICAL COMPOSITION FOR TREATING RESPIRATORY DISEASES Astrazeneca AB (SE) 2006-05-17 EP disclosed
WO-2005019171-A1 SUBSTITUTED INDOLE DERIVATIVES FOR PHARMACEUTICAL COMPOSITION FOR TREATING RESPIRATORY DISEASES ASTRAZENECA AB (SE) 2005-03-03 WO disclosed