SCHEMBL2156932

SCHEMBL2156932

CCc1cc2c([N+](=O)[O-])cccc2n1Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.53
PLA2G2A P14555 2/20 0.51
HSPD1 P10809 1/20 0.47
HSPE1 P61604 1/20 0.47
KMT2A Q03164 5/20 0.46
MEN1 O00255 3/20 0.46
CFTR P13569 1/20 0.45
MTNR1A P48039 2/20 0.44
MTNR1B P49286 2/20 0.44
P2RX4 Q99571 2/20 0.44
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP19A1 P11511 1/20 0.43
LMNA P02545 3/20 0.42
MAPT P10636 2/20 0.42
NPC1 O15118 1/20 0.42
MITF O75030 1/20 0.42
ALDH1A1 P00352 1/20 0.42
AGTR1 P30556 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL27795134 0.80 CYP19A1 (0.49) PLA2G2AKMT2AMEN1MTNR1AMTNR1B
SCHEMBL25838 0.77 MEN1 (0.51) PLA2G2AKMT2AMEN1MTNR1AMTNR1B
SCHEMBL26473 0.75 MTNR1B (0.67) CCR2PLA2G2AKMT2AMTNR1AMTNR1B
SCHEMBL28373342 0.75 TDP1 (0.42) CCR2KMT2AMEN1SMN1; SMN2LMNA
SCHEMBL16627736 0.73 NPC1 (0.50) CCR2KMT2AMEN1MAPK1SMN1; SMN2
SCHEMBL4649882 0.72 CCR2 (0.78) CCR2MAPT
SCHEMBL3188928 0.71 BRD4 (0.45) KMT2AMEN1MTNR1AMTNR1BP2RX4
SCHEMBL8502661 0.71 MTNR1A (0.53) PLA2G2AKMT2AMEN1MTNR1AMTNR1B
SCHEMBL25290375 0.70 RECQL (0.53) CCR2PLA2G2AHSPD1HSPE1KMT2A
SCHEMBL2049090 0.70 RECQL (0.53) CCR2PLA2G2AHSPD1HSPE1KMT2A

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 13 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
CN-1067054-C 1H-indole-3-glyoxylamide spla2 inhibitors LILLY CO ELI (US) 2001-06-13 CN 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