SCHEMBL6232997

SCHEMBL6232997

CCOC(=O)CC1c2ccccc2C(=O)N1CC1CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.54
CYP1A2 P05177 1/20 0.48
FFAR1 O14842 2/20 0.47
PDE6D O43924 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
ALDH1A1 P00352 4/20 0.41
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NPSR1 Q6W5P4 2/20 0.40
GAA P10253 2/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CA12 O43570 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
POLB P06746 1/20 0.39
THRB P10828 1/20 0.38

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
SCHEMBL27568970 0.86 IDO1 (0.56) IDO1CYP1A2FFAR1L3MBTL1ALDH1A1
SCHEMBL20000839 0.84 FFAR1 (0.48) IDO1FFAR1PDE6DL3MBTL1ALDH1A1
SCHEMBL4473193 0.82 FFAR1 (0.52) FFAR1PDE6DL3MBTL1ALDH1A1HPGD
SCHEMBL6234642 0.82 IDO1 (0.52) IDO1CYP1A2ALDH1A1HPGDTSHR
SCHEMBL27528478 0.82 IDO1 (0.52) IDO1CYP1A2FFAR1L3MBTL1ALDH1A1
SCHEMBL4479204 0.82 CYP11B1 (0.47) IDO1ALDH1A1
SCHEMBL4469205 0.82 CYP11B1 (0.44) IDO1ALDH1A1GAAMAPT
SCHEMBL11362055 0.80 IDO1 (0.57) IDO1CYP1A2FFAR1L3MBTL1ALDH1A1
SCHEMBL31132742 0.78 IDO1 (0.55) IDO1CYP1A2L3MBTL1ALDH1A1HPGD
SCHEMBL13708547 0.77 FFAR1 (0.45) IDO1FFAR1PDE6DL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101039907-B Isoindolone compounds and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB 2011-02-23 CN claimed
CN-101039907-A Isoindolone compounds and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB (SE) 2007-09-19 CN claimed
CN-102134214-B Isoindolone compounds and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB 2013-05-22 CN disclosed
CN-102134214-A Isoindolone compounds and their use as metabotropic glutamate receptor potentiators ASTRAZENECA SWEDEN AB 2011-07-27 CN disclosed
CN-101039907-B Isoindolone compounds and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB 2011-02-23 CN disclosed
CN-101039907-A Isoindolone compounds and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB (SE) 2007-09-19 CN disclosed
CN-1290833-C N- ((3-oxo2, 3-dihydro-1H-isoindol-1-yl) acetyl) guanidine derivatives as NHE-1 inhibitors for the treatment of infarction and angina pectoris SANOFI AVENTIS PHARMA GMBH (DE) 2006-12-20 CN disclosed
CN-1658869-A N- ((3-oxo-2, 3-dihydro-1H-isoindol-1-yl) acetyl) guanidine derivatives as NHE-1 inhibitors for the treatment of infarcts and angina pectoris AVENTIS PHARMA GMBH (DE) 2005-08-24 CN disclosed
EP-1528923-A1 N-((3-OXO-2,3-DIHYDRO-1H-ISOINDOL-1-YL)ACETYL)GUANIDINE DERIVATIVES AS NHE1-INHIBITORS FOR THE TREATMENT OF INFARCTION AND ANGINA PECTORIS Aventis Pharma Deutschland GmbH (DE) 2005-05-11 EP disclosed
WO-2003101450-A1 N- ((3-OXO2, 3-DIHYDRO-1H-ISOINDOL-1-YL) ACETYL) GUANIDINE DERIVATIVES AS NHE-1 INHIBITORS FOR THE TREATMENT OF INFARCTION AND ANGINA PECTORIS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-12-11 WO disclosed