SCHEMBL5693140

SCHEMBL5693140

CC(C)CN1C(=O)c2cc(Cl)c(Cl)cc2C1O.CC(C)CN1C(=O)c2cc(Cl)c(Cl)cc2C1O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.40
LMNA P02545 1/20 0.40
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
ALOX15 P16050 1/20 0.39
FFAR1 O14842 3/20 0.37
TRPA1 O75762 1/20 0.33
ALDH1A1 P00352 3/20 0.33
P2RX7 Q99572 2/20 0.33
GAA P10253 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
AADAT Q8N5Z0 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CACNA1B Q00975 2/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL4484789 1.00 HPGD (0.40) HPGDLMNAKDM4EPOLBALOX15
SCHEMBL4466267 0.84 LMNA (0.41) HPGDLMNAKDM4EPOLBALOX15
SCHEMBL4477266 0.84 KDM4E (0.45) HPGDLMNAKDM4EPOLBALOX15
SCHEMBL4466885 0.80 FFAR1 (0.38) HPGDLMNAKDM4EPOLBALOX15
SCHEMBL4473812 0.80 FFAR1 (0.35) HPGDLMNAKDM4EPOLBALOX15
SCHEMBL4459334 0.79 NPC1 (0.39) HPGDLMNAKDM4EPOLBALOX15
SCHEMBL4459450 0.79 KDM4E (0.46) HPGDLMNAKDM4EPOLBALOX15
SCHEMBL4486595 0.79 KDM4E (0.43) HPGDLMNAKDM4EPOLBALOX15
SCHEMBL4481397 0.78 KDM4E (0.45) HPGDLMNAKDM4EPOLBALOX15
SCHEMBL4473294 0.78 CACNA1B (0.37) HPGDLMNAKDM4EPOLBALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1528923-B1 N-((3-OXO-2,3-DIHYDRO-1H-ISOINDOL-1-YL)ACETYL)GUANIDINE DERIVATIVES AS NHE1-INHIBITORS FOR THE TREATMENT OF INFARCTION AND ANGINA PECTORIS SANOFI AVENTIS DEUTSCHLAND (DE) 2006-05-03 EP 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