SCHEMBL7141841

SCHEMBL7141841

CC(C)(C)OC(=O)Nc1cc(N2CCC(OC3CCCCO3)CC2)c(-c2ccc(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
CCKBR P32239 1/20 0.33
CCR3 P51677 1/20 0.33
ABL1 P00519 1/20 0.32
MGLL Q99685 1/20 0.32
SYK P43405 1/20 0.31
CTSV O60911 2/20 0.31
CTSL P07711 2/20 0.31
CTSB P07858 2/20 0.31
CTSS P25774 2/20 0.31
CTSK P43235 2/20 0.31
NOS2 P35228 1/20 0.31
SLC6A9 P48067 1/20 0.31
BACE1 P56817 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
F10 P00742 1/20 0.30
GPR119 Q8TDV5 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
SCHEMBL7143444 0.97 KDM4D (0.35) KDM4DCCKBRCCR3ABL1MGLL
SCHEMBL7145195 0.94 KDM4D (0.34) KDM4DCCKBRCCR3ABL1MGLL
SCHEMBL7699418 0.89 CCR3 (0.34) CCKBRCCR3ABL1MGLLCTSV
SCHEMBL7138171 0.88 KDM4D (0.37) KDM4DCCKBRCCR3ABL1MGLL
SCHEMBL7703659 0.85 UCHL1 (0.36) CCR3BACE1
SCHEMBL7138021 0.85 KDM4D (0.35) KDM4DCCR3ABL1BACE1L3MBTL1
SCHEMBL7144093 0.83 KDM4D (0.36) KDM4DCCKBRCCR3ABL1BACE1
SCHEMBL7141955 0.83 KDM4D (0.36) KDM4DCCKBRCCR3ABL1BACE1
SCHEMBL7146597 0.81 ADH5 (0.41) KDM4DABL1L3MBTL1
SCHEMBL7143394 0.80 ADH5 (0.40) KDM4DABL1L3MBTL1

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