SCHEMBL7139792

SCHEMBL7139792

COC1CCN(c2cc(NC(=O)OC(C)(C)C)c(NC(=O)CC(=O)c3cccc(-n4ccnc4)c3)cc2C#Cc2ccccc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4D Q6B0I6 1/20 0.36
GPR119 Q8TDV5 1/20 0.34
ABL1 P00519 1/20 0.34
CD38 P28907 4/20 0.33
KIT P10721 1/20 0.33
DDR1 Q08345 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ROCK2 O75116 1/20 0.33
CCKBR P32239 1/20 0.32
DRD2 P14416 1/20 0.31
DRD3 P35462 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
SCHEMBL7140122 0.87 KDM4D (0.33) KDM4DGPR119ABL1KITDDR1
SCHEMBL7141549 0.86 RORC (0.37) DRD2DRD3
SCHEMBL5868817 0.83 ABL1 (0.40) KDM4DABL1KITDDR1L3MBTL1
SCHEMBL7140018 0.83 KIT (0.37) KDM4DABL1KITDDR1L3MBTL1
SCHEMBL7142745 0.81 LMNA (0.37) KDM4DABL1KITDDR1L3MBTL1
SCHEMBL7138069 0.81 KDM4D (0.36) KDM4DGPR119ABL1KITDDR1
SCHEMBL7143688 0.80 KDM4D (0.34) KDM4DABL1KITDDR1L3MBTL1
SCHEMBL7147238 0.78 ABL1 (0.39) KDM4DABL1KITDDR1L3MBTL1
SCHEMBL5869035 0.78 ABL1 (0.39) KDM4DABL1KITDDR1L3MBTL1
SCHEMBL5869020 0.78 ABL1 (0.41) KDM4DABL1KITDDR1L3MBTL1

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