SCHEMBL7140122

SCHEMBL7140122

CCOC1(OCC)CCN(c2cc(NC(=O)OC(C)(C)C)c(NC(=O)CC(=O)c3cccc(-n4ccnc4)c3)cc2C#Cc2ccccc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4D Q6B0I6 1/20 0.33
KMT2A Q03164 1/20 0.33
ABL1 P00519 1/20 0.33
KIT P10721 1/20 0.33
DDR1 Q08345 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
ROCK2 O75116 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
GPR119 Q8TDV5 1/20 0.31
DRD3 P35462 1/20 0.31
LMNA P02545 2/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL7139792 0.87 KDM4D (0.36) KDM4DABL1KITDDR1L3MBTL1
SCHEMBL5868817 0.82 ABL1 (0.40) KDM4DKMT2AABL1KITDDR1
SCHEMBL7140018 0.80 KIT (0.37) KDM4DABL1KITDDR1L3MBTL1
SCHEMBL7142745 0.80 LMNA (0.37) KDM4DABL1KITDDR1L3MBTL1
SCHEMBL7138069 0.78 KDM4D (0.36) KDM4DABL1KITDDR1L3MBTL1
SCHEMBL7147238 0.77 ABL1 (0.39) KDM4DABL1KITDDR1L3MBTL1
SCHEMBL5869035 0.77 ABL1 (0.39) KDM4DABL1KITDDR1L3MBTL1
SCHEMBL7141511 0.77 DDB1 (0.35) KMT2AL3MBTL1
SCHEMBL5869020 0.77 ABL1 (0.41) KDM4DABL1KITDDR1L3MBTL1
SCHEMBL7143688 0.76 KDM4D (0.34) KDM4DKMT2AABL1KITDDR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1224174-B1 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2003-09-17 EP disclosed
EP-1224174-A2 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2002-07-24 EP disclosed
US-6407094-B1 4-5-DIDEHYDRO-1,5-BENZODIAZEPIN-2-ONE DERIVATIVES; PSYCHOLOGICAL, NERVOUS SYSTEM, AND BRAIN DISORDERS; COGNITION ACTIVATORS; ALZHEIMER*S DISEASE, SCHIZOPHRENIA HOFFMANN-LA ROCHE INC. 2002-06-18 US disclosed
WO-2001029011-A2 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2001-04-26 WO disclosed