SCHEMBL6771136

SCHEMBL6771136

COC(=O)CCc1cc2c(OC)cccc2n1Cc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 10/20 0.70
MTNR1A P48039 9/20 0.70
CCR2 P41597 1/20 0.52
CYP11B1 P15538 1/20 0.49
CYP11B2 P19099 1/20 0.49
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.46
PLA2G2A P14555 3/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.45
EDNRB P24530 1/20 0.44
EDNRA P25101 1/20 0.44
TP53 P04637 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44

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
SCHEMBL6778354 0.82 MTNR1B (0.66) MTNR1BMTNR1ACCR2MAPTPLA2G2A
SCHEMBL26473 0.80 MTNR1B (0.67) MTNR1BMTNR1ACCR2MAPTPLA2G2A
SCHEMBL6775247 0.79 CCR2 (0.65) MTNR1BMTNR1ACCR2MAPTPLA2G2A
SCHEMBL25136 0.79 MTNR1B (0.60) MTNR1BMTNR1ACCR2MAPTKDM4E
SCHEMBL13632218 0.77 MTNR1B (0.60) MTNR1BMTNR1ACCR2MAPTPLA2G2A
SCHEMBL13632216 0.76 MTNR1A (0.54) MTNR1BMTNR1AMAPTKDM4EPLA2G2A
SCHEMBL2157047 0.75 MAPK1 (0.58) MTNR1BMTNR1ACCR2MAPTPLA2G2A
SCHEMBL26613 0.74 PLA2G2A (0.59) MTNR1BMTNR1ACCR2MAPTKDM4E
SCHEMBL6774080 0.73 MTNR1A (0.56) MTNR1BMTNR1ACCR2MAPTPLA2G2A
SCHEMBL3199215 0.72 MTNR1A (0.45) MTNR1BMTNR1ACCR2MAPTKDM4E

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 5 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
EP-0950661-B1 Substituted tricyclics useful in sPLA2 induced diseases LILLY CO ELI (US) 2003-11-12 EP disclosed
EP-1156050-A2 Substituted tricyclics useful in sPLA2 induced diseases ELI LILLY AND COMPANY (US) 2001-11-21 EP disclosed
US-6177440-B1 THERAPY FOR SEPSIS SHOCK; PHOSPHOLIPASE INHBITOR ELI LILLY AND COMPANY 2001-01-23 US disclosed
EP-0950661-A1 Substituted tricyclics useful in sPLA2 induced diseases ELI LILLY AND COMPANY (US) 1999-10-20 EP disclosed