SCHEMBL17323294

SCHEMBL17323294

CCC[C@H](NC(=O)CNC)C(=O)NCC(N)=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.37
CTSK P43235 2/20 0.37
GLO1 Q04760 1/20 0.35
PTGS1 P23219 1/20 0.34
GSTK1 Q9Y2Q3 1/20 0.34
SIRT6 Q8N6T7 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
BMP1 P13497 1/20 0.32
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31
TLR2 O60603 1/20 0.31
PSEN1 P49768 1/20 0.30
PSEN2 P49810 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
SCHEMBL15840384 0.91 SIRT6 (0.41) CTSSCTSKSIRT6SIRT1TLR2
SCHEMBL15840417 0.88 SIRT6 (0.48) SIRT6SIRT1TLR2
SCHEMBL15840410 0.88 GLO1 (0.35) GLO1PTGS1GSTK1SIRT6SIRT1
SCHEMBL15840416 0.88 BMP1 (0.43) GLO1PTGS1GSTK1BMP1
SCHEMBL15840383 0.86 PTGS1 (0.39) GLO1PTGS1GSTK1BMP1
SCHEMBL17323373 0.86 NMT2 (0.36) GLO1PTGS1GSTK1BMP1
SCHEMBL15840414 0.85 GLO1 (0.44) GLO1PTGS1GSTK1BMP1
SCHEMBL15840455 0.84 NMT1 (0.36) GLO1PTGS1GSTK1TLR2
SCHEMBL15840404 0.84 TSHR (0.46) CTSSCTSK
SCHEMBL22297882 0.84 SIRT6 (0.46) SIRT6SIRT1TLR2

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-2015185467-A1 PEPTIDES AS OXYTOCIN AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2015-12-10 WO disclosed