SCHEMBL6897889

SCHEMBL6897889

CCCCCc1cc(O)c2c3c(C(=O)OC)cccc3n(Cc3ccc4ccccc4c3)c2c1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
AGTR1 P30556 3/20 0.38
MDH1 P40925 1/20 0.38
AGTR2 P50052 2/20 0.38
PLA2G4A P47712 1/20 0.38
HCAR2 Q8TDS4 1/20 0.37
PPARG P37231 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
SCHEMBL6889596 0.91 SLC6A2 (0.40) CNR2SLC6A2SLC6A4SLC6A3
SCHEMBL5212605 0.90 MAPK8 (0.42) AGTR1AGTR2PLA2G4APPARG
SCHEMBL6776370 0.89 PPARG (0.44) CNR2AGTR1AGTR2PLA2G4APPARG
SCHEMBL6897075 0.89 CETP (0.41) PPARG
SCHEMBL6894406 0.88 MAPK8 (0.42) CNR2SLC6A3
SCHEMBL6889205 0.88 MAPK8 (0.41) AGTR1AGTR2PPARG
SCHEMBL6888047 0.88 CNR1 (0.38) CNR2AGTR1AGTR2PPARG
SCHEMBL6896800 0.87 MAPT (0.43) CNR2AGTR1
SCHEMBL6891901 0.86 PLA2G2A (0.43) CNR2AGTR1
SCHEMBL6889327 0.86 MAPT (0.41) CNR2

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
US-6713645-B1 INHIBITING SPLA2 MEDIATED RELEASE OF FATTY ACIDS FOR TREATMENT OF CONDITIONS SUCH AS SEPTIC SHOCK ELI LILLY AND COMPANY 2004-03-30 US disclosed
US-6177440-B1 THERAPY FOR SEPSIS SHOCK; PHOSPHOLIPASE INHBITOR ELI LILLY AND COMPANY 2001-01-23 US disclosed
EP-0952149-A2 Substituted carbazoles, process for their preparation and their use as sPLA2 inhibitiors ELI LILLY AND COMPANY (US) 1999-10-27 EP disclosed