SCHEMBL14640892

SCHEMBL14640892

CCCN(C)C(=O)c1ccc(-c2nc(COC3CCNCC3)no2)cc1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
USP7 Q93009 1/20 0.38
SPHK1 Q9NYA1 4/20 0.38
PTGS2 P35354 1/20 0.37
HDAC4 P56524 5/20 0.37
SPHK2 Q9NRA0 2/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
SLC6A4 P31645 1/20 0.36
KCNH2 Q12809 1/20 0.36
SMPD1 P17405 2/20 0.35
MAOB P27338 1/20 0.35

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
SCHEMBL4412654 0.86 GPR119 (0.40) SPHK1PTGS2HDAC4SPHK2KCNH2
SCHEMBL13598289 0.83 GPR119 (0.55)
SCHEMBL14640895 0.82 SPHK1 (0.48) SPHK1HDAC4SPHK2HDAC6SMPD1
SCHEMBL14640897 0.82 SPHK1 (0.46) USP7SPHK1HDAC4SPHK2HDAC6
SCHEMBL27742206 0.78 SPHK1 (0.41) USP7SPHK1SPHK2SMPD1MAOB
SCHEMBL14640893 0.78 SPHK1 (0.49) USP7SPHK1PTGS2HDAC4SPHK2
SCHEMBL14640693 0.77 SPHK1 (0.45) USP7SPHK1PTGS2HDAC4SPHK2
SCHEMBL4414400 0.76 USP7 (0.41) USP7MAOB
SCHEMBL4422301 0.76 GPR119 (0.55) HDAC4
SCHEMBL14640649 0.75 USP7 (0.43) USP7MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007003960-A1 GPCR AGONISTS PROSIDION LIMITED (GB) 2007-01-11 WO disclosed