SCHEMBL2156559

SCHEMBL2156559

CCc1cc2c(OC)cccc2n1Cc1ccccc1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 5/20 0.49
MTNR1A P48039 4/20 0.49
HTR7 P34969 4/20 0.46
PLA2G2A P14555 6/20 0.45
LMNA P02545 2/20 0.44
HTT P42858 2/20 0.44
KDM4E B2RXH2 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42
HCRTR1 O43613 2/20 0.42
HCRTR2 O43614 2/20 0.42
TSHR P16473 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PLA2G10 O15496 1/20 0.41
PLA2G1B P04054 1/20 0.41
PLA2G5 P39877 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
SCHEMBL2157056 0.91 MTNR1B (0.51) MTNR1BMTNR1AHTR7PLA2G2ALMNA
SCHEMBL2156528 0.85 HTR7 (0.47) MTNR1BMTNR1AHTR7PLA2G2ALMNA
SCHEMBL2157014 0.84 PLA2G2A (0.52) MTNR1BMTNR1APLA2G2APLA2G10PLA2G1B
SCHEMBL2156481 0.83 PLA2G2A (0.42) HTR7PLA2G2ALMNAHTTKDM4E
SCHEMBL26473 0.82 MTNR1B (0.67) MTNR1BMTNR1APLA2G2A
SCHEMBL2156625 0.81 HCRTR1 (0.47) HTR7PLA2G2ALMNAHTTKDM4E
SCHEMBL5696981 0.80 PLA2G2A (0.49) MTNR1BMTNR1APLA2G2ANPSR1PLA2G10
SCHEMBL8504973 0.79 PLA2G2A (0.47) MTNR1BMTNR1APLA2G2AKDM4EPLA2G10
SCHEMBL8505425 0.78 PLA2G2A (0.45) MTNR1BMTNR1APLA2G2AKDM4ENPSR1
SCHEMBL2157143 0.76 PLA2G2A (0.53) MTNR1BMTNR1APLA2G2APLA2G10PLA2G1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-6433001-B1 SEPTIC SHOCK, ALLERGIC RHINITIS, RHEUMATIC ARTHRITIS, ADULT RESPIRATORY DISTRESS SYNDROME, BRONCHIAL ASTHMA, TRAUMA, AND PANCREATITIS TREATMENT ELI LILLY AND COMPANY 2002-08-13 US disclosed
EP-0675110-B1 1H-Indole-3-glyoxylamide sPLA2 inhibitors LILLY CO ELI (US) 2002-07-10 EP disclosed
EP-1197484-A2 1H-Indole-3-glyoxylamide sPLA2 inhibitors ELI LILLY AND COMPANY (US) 2002-04-17 EP disclosed
EP-1081135-A2 1H-indole-3-glyoxylamide spla2 inhibitors ELI LILLY AND COMPANY (US) 2001-03-07 EP disclosed
US-6175021-B1 HUMAN NON-PANCREATIC SECRETORY PHOSPHOLIPASE A2 (SPLA2); INHIBITS RELEASE OF ARACHIDONIC ACID TO TREAT SEPTIC SHOCK; ((3-(2-AMINO-1,2-DIOXOETHYL)-2-METHYL-1-(PHENYLMETHYL)-1H-INDOL-4 -YL)OXYLACETIC ACID, FOR EXAMPLE ELI LILLY AND COMPANY 2001-01-16 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
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