SCHEMBL4757197

SCHEMBL4757197

CCc1cc2c(OCC(=O)OC)cccc2n1Cc1cccc(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 4/20 0.52
MTNR1A P48039 3/20 0.52
PLA2G2A P14555 9/20 0.51
PLA2G1B P04054 1/20 0.49
CCR2 P41597 1/20 0.43
MAPT P10636 3/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAPK10 P53779 1/20 0.43
THRB P10828 1/20 0.42
TP53 P04637 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
SCHEMBL25136 0.92 MTNR1B (0.60) MTNR1BMTNR1APLA2G2APLA2G1BCCR2
SCHEMBL6597958 0.86 MAPT (0.57) PLA2G2APLA2G1BCCR2MAPTTHRB
SCHEMBL2157383 0.84 MTNR1B (0.57) MTNR1BMTNR1APLA2G2APLA2G1BCCR2
SCHEMBL5697008 0.80 MTNR1A (0.52) MTNR1BMTNR1APLA2G2APLA2G1BCCR2
SCHEMBL27555858 0.80 PLA2G2A (0.50) MTNR1BMTNR1APLA2G2APLA2G1BCCR2
SCHEMBL13632216 0.80 MTNR1A (0.54) MTNR1BMTNR1APLA2G2APLA2G1BMAPT
SCHEMBL4789355 0.80 PLA2G1B (0.46) MTNR1BMTNR1APLA2G2APLA2G1BALDH1A1
SCHEMBL5765093 0.79 PTGDR2 (0.42) MTNR1BMTNR1APLA2G2APLA2G1BMAPT
SCHEMBL8502436 0.79 MTNR1A (0.46) MTNR1BMTNR1APLA2G2APLA2G1BCCR2
SCHEMBL26613 0.78 PLA2G2A (0.59) MTNR1BMTNR1APLA2G2APLA2G1BCCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-5919943-A INHIBITION OF SPLA2 ELI LILLY AND COMPANY (US) 1999-07-06 US disclosed
US-5919810-A SEPTIC SHOCK 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