SCHEMBL7146641

SCHEMBL7146641

CC(C)(C)OC(=O)Nc1cc(COC2CCCCO2)c(C#Cc2ccc(F)cc2)cc1NC(=O)CC(=O)c1cccc(-n2ccnc2)c1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4D Q6B0I6 1/20 0.35
SLC6A9 P48067 1/20 0.33
ABL1 P00519 1/20 0.33
KIT P10721 1/20 0.32
DDR1 Q08345 1/20 0.32
CTSV O60911 2/20 0.32
CTSL P07711 2/20 0.32
CTSB P07858 2/20 0.32
CTSS P25774 2/20 0.32
CTSK P43235 2/20 0.32
CCR3 P51677 1/20 0.32
NOS2 P35228 1/20 0.32
CCKBR P32239 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ROCK2 O75116 1/20 0.31
EP300 Q09472 1/20 0.31
CREBBP Q92793 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
SCHEMBL7138069 0.95 KDM4D (0.36) KDM4DABL1KITDDR1CTSV
SCHEMBL7138171 0.90 KDM4D (0.37) KDM4DSLC6A9ABL1CTSVCTSL
SCHEMBL7142689 0.89 KDM4D (0.33) KDM4DSLC6A9ABL1KITDDR1
SCHEMBL7143688 0.84 KDM4D (0.34) KDM4DABL1KITDDR1CTSV
SCHEMBL7147238 0.83 ABL1 (0.39) KDM4DABL1KITDDR1L3MBTL1
SCHEMBL5869020 0.83 ABL1 (0.41) KDM4DABL1KITDDR1L3MBTL1
SCHEMBL7143253 0.80 ABL1 (0.36) KDM4DABL1KITDDR1L3MBTL1
SCHEMBL7145195 0.80 KDM4D (0.34) KDM4DSLC6A9ABL1CTSVCTSL
SCHEMBL7141841 0.79 KDM4D (0.35) KDM4DSLC6A9ABL1CTSVCTSL
SCHEMBL7143444 0.78 KDM4D (0.35) KDM4DSLC6A9ABL1CTSVCTSL

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