SCHEMBL25136

SCHEMBL25136

CCc1cc2c(OCC(=O)OC)cccc2n1Cc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 4/20 0.60
MTNR1A P48039 3/20 0.60
PLA2G2A P14555 9/20 0.54
KDM4E B2RXH2 2/20 0.46
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
PLA2G1B P04054 2/20 0.45
PLA2G10 O15496 1/20 0.45
PLA2G6 O60733 1/20 0.45
PLA2G5 P39877 1/20 0.45
PLA2G2C Q5R387 1/20 0.45
PLA2G12B Q9BX93 1/20 0.45
PLA2G12A Q9BZM1 1/20 0.45
PLA2G2F Q9BZM2 1/20 0.45
PLA2G3 Q9NZ20 1/20 0.45
PLA2G2E Q9NZK7 1/20 0.45
PLA2G2D Q9UNK4 1/20 0.45
CCR2 P41597 1/20 0.43
PSEN1 P49768 2/20 0.43

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
SCHEMBL4757197 0.92 MTNR1B (0.52) MTNR1BMTNR1APLA2G2AMAPTPLA2G1B
SCHEMBL5697008 0.88 MTNR1A (0.52) MTNR1BMTNR1APLA2G2APLA2G1BPLA2G10
SCHEMBL13632216 0.88 MTNR1A (0.54) MTNR1BMTNR1APLA2G2AKDM4ENPC1
SCHEMBL26613 0.86 PLA2G2A (0.59) MTNR1BMTNR1APLA2G2AKDM4ENPC1
SCHEMBL14620974 0.86 MTNR1B (0.52) MTNR1BMTNR1APLA2G2AKDM4ENPC1
SCHEMBL2157014 0.86 PLA2G2A (0.52) MTNR1BMTNR1APLA2G2APLA2G1BPLA2G10
SCHEMBL8023979 0.85 MTNR1A (0.46) MTNR1BMTNR1APLA2G2AMAPTPLA2G1B
SCHEMBL4789355 0.85 PLA2G1B (0.46) MTNR1BMTNR1APLA2G2AKDM4EPLA2G1B
SCHEMBL26473 0.82 MTNR1B (0.67) MTNR1BMTNR1APLA2G2AMAPTCCR2
SCHEMBL2157125 0.82 PLA2G2A (0.54) MTNR1BMTNR1APLA2G2AKDM4ENPC1

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 50 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1950200-B1 [[3-(2-amino-1,2-dioxoethyl)-2-ethyl-1-(phenylmethyl)-11H-indol-4-yl]oxy]acetic acid methyl ester as sPLA2 inhibitor LILLY CO ELI (US) 2012-01-11 EP disclosed
EP-2341045-A1 [[3-(2-amino-1,2-dioxoethyl)-2-ethyl-1-(phenylmethyl)-11H-indol-4-yl]oxy]acetic acid (acyloxy)alkyl or ((alkoxycarbonyl)oxy)alkyl ester as SPLA2 inhibitor Eli Lilly and Company (US) 2011-07-06 EP disclosed
EP-1950200-A1 [[3-(2-amino-1,2-dioxoethyl)-2-ethyl-1-(phenylmethyl)-11H-indol-4-yl]oxy]acetic acid methyl ester as sPLA2 inhibitor ELI LILLY AND COMPANY (US) 2008-07-30 EP disclosed
EP-1202963-B1 SPLA2 INHIBITORS LILLY CO ELI (US) 2007-01-03 EP disclosed
EP-1220839-B1 HYDROXYFUNCTIONAL AMIDE 1H-INDOLE DERIVATIVES ACTIVE AS SPLA2 INHIBITORS LILLY CO ELI (US) 2006-12-06 EP disclosed
US-7026348-B2 Indole sPLA2 inhibitors ELI LILLY AND COMPANY (US) 2006-04-11 US disclosed
EP-1058547-B1 PHARMACEUTICAL COMPOSITIONS CONTAINING THE PHOSPHOLIPASE INHIBITOR SODIUM 3-(2-AMINO-1,2-DIOXOETHYL)-2-ETHYL-1-PHENYLMETHYL)-1H-INDOL-4-YL]OXY]ACETATE SHIONOGI & CO (JP) 2005-11-23 EP disclosed
US-6939890-B2 Antiinflammatory agents; sepsis shock; rheumatic disorders ELI LILLY AND COMPANY (US) 2005-09-06 US disclosed
US-6831095-B1 Treatment of rheumatoid arthritis ELI LILLY AND COMPANY 2004-12-14 US disclosed
US-6706752-B1 HUMAN NON-PANCREATIC SECRETORY PHOSPHOLIPASE A2 INHIBITORS FOR INHIBITING SPLA2 MEDIATED RELEASE OF FATTY ACIDS FOR TREATMENT OF INFLAMMATORY DISEASES SUCH AS SEPTIC SHOCK ELI LILLY AND COMPANY 2004-03-16 US disclosed
US-5919810-A SEPTIC SHOCK ELI LILLY AND COMPANY (US) 1999-07-06 US disclosed
US-5919943-A INHIBITION OF SPLA2 ELI LILLY AND COMPANY (US) 1999-07-06 US disclosed
WO-1999024026-A2 METHOD FOR THE TREATMENT OF DISORDERS ASSOCIATED WITH APOPTOSIS USING N-HETEROCYCLIC GLYOXYLAMIDE COMPOUNDS SHIONOGI & CO., LTD. (JP) 1999-05-20 WO disclosed
WO-1999024033-A1 METHOD FOR THE TREATMENT OF DISORDERS ASSOCIATED WITH APOPTOSIS USING N-HETEROCYCLIC GLYOXYLAMIDE COMPOUNDS SHIONOGI & CO., LTD. (JP) 1999-05-20 WO disclosed
EP-0887342-A2 Process for preparing 4-substituted-1H-indole-3-glyoxamides ELI LILLY AND COMPANY (US) 1998-12-30 EP disclosed
WO-1998047507-A1 METHOD FOR THE TREATMENT OF STROKE USING N-HETEROCYCLIC GLYOXYLAMIDE COMPOUNDS SHIONOGI & CO., LTD. (JP) 1998-10-29 WO disclosed
WO-1998047508-A1 METHOD FOR THE TREATMENT OF STROKE USING N-HETEROCYCLIC GLYOXYLAMIDE COMPOUNDS SHIONOGI & CO., LTD. (JP) 1998-10-29 WO disclosed
US-5733923-A SECRETORY PANCREATIC PHOSPHOLIPASE A2 ELI LILLY AND COMPANY (US) 1998-03-31 US disclosed
US-5654326-A SEPTIC SHOCK; HUMAN NONPANCREATIC SECRETORY PHOSPHOLIPASE ELI LILLY AND COMPANY (US) 1997-08-05 US disclosed
EP-0675110-A1 1H-Indole-3-glyoxylamide sPLA2 inhibitors ELI LILLY AND COMPANY (US) 1995-10-04 EP disclosed