SCHEMBL5494046

SCHEMBL5494046

CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1)C(=O)C1NCCS1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 1/20 0.44
PRCP P42785 2/20 0.40
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
CTSC P53634 3/20 0.36
REN P00797 1/20 0.36
TLR2 O60603 2/20 0.35
MMP3 P08254 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34

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
SCHEMBL5494049 1.00 DPP7 (0.44) DPP7PRCPHDAC3HDAC4HDAC1
SCHEMBL5489331 0.88 DPP7 (0.41) DPP7PRCPCTSCTLR2CYP1A2
SCHEMBL5489340 0.88 DPP7 (0.41) DPP7PRCPCTSCTLR2CYP1A2
SCHEMBL5489377 0.82 ACACB (0.34) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL5489371 0.82 ACACB (0.34) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL24766527 0.81 L3MBTL1 (0.51) DPP7PRCPHDAC3HDAC4HDAC1
SCHEMBL8720606 0.81 L3MBTL1 (0.51) DPP7PRCPHDAC3HDAC4HDAC1
SCHEMBL30729237 0.81 L3MBTL1 (0.51) DPP7PRCPHDAC3HDAC4HDAC1
SCHEMBL16899848 0.81 L3MBTL1 (0.51) DPP7PRCPHDAC3HDAC4HDAC1
SCHEMBL8720605 0.81 L3MBTL1 (0.51) DPP7PRCPHDAC3HDAC4HDAC1

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
US-7166579-B2 Prodrugs of DP IV-inhibitors PROSIDION LIMITED (GB) 2007-01-23 US claimed