SCHEMBL7142689

SCHEMBL7142689

CN(CCOC1CCCCO1)c1cc(NC(=O)OC(C)(C)C)c(NC(=O)CC(=O)c2cccc(-n3ccnc3)c2)cc1C#Cc1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4D Q6B0I6 1/20 0.33
SLC6A9 P48067 1/20 0.31
CCKBR P32239 1/20 0.31
ABL1 P00519 1/20 0.31
KIT P10721 1/20 0.31
DDR1 Q08345 1/20 0.31
MGLL Q99685 1/20 0.31
GPR119 Q8TDV5 1/20 0.30
CTSV O60911 2/20 0.30
CTSL P07711 2/20 0.30
CTSB P07858 2/20 0.30
CTSS P25774 2/20 0.30
CTSK P43235 2/20 0.30
CCR3 P51677 1/20 0.30

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
SCHEMBL7146641 0.89 KDM4D (0.35) KDM4DSLC6A9CCKBRABL1KIT
SCHEMBL7143688 0.84 KDM4D (0.34) KDM4DCCKBRABL1KITDDR1
SCHEMBL7138069 0.84 KDM4D (0.36) KDM4DCCKBRABL1KITDDR1
SCHEMBL7138171 0.81 KDM4D (0.37) KDM4DSLC6A9CCKBRABL1MGLL
SCHEMBL7147238 0.81 ABL1 (0.39) KDM4DABL1KITDDR1
SCHEMBL5869020 0.80 ABL1 (0.41) KDM4DABL1KITDDR1
SCHEMBL7145195 0.80 KDM4D (0.34) KDM4DSLC6A9CCKBRABL1MGLL
SCHEMBL7143253 0.79 ABL1 (0.36) KDM4DABL1KITDDR1
SCHEMBL7139709 0.79 HDAC1 (0.36)
SCHEMBL7141841 0.77 KDM4D (0.35) KDM4DSLC6A9CCKBRABL1MGLL

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