SCHEMBL15840384

SCHEMBL15840384

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
CTSS P25774 2/20 0.39
CTSK P43235 1/20 0.39
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
NMT2 O60551 1/20 0.36
NMT1 P30419 1/20 0.36
DPP7 Q9UHL4 3/20 0.36
NOD1 Q9Y239 5/20 0.36
TLR2 O60603 1/20 0.36
SLC6A5 Q9Y345 2/20 0.35
CTSL P07711 1/20 0.35
OPRM1 P35372 2/20 0.34
OPRD1 P41143 2/20 0.34
DPP8 Q6V1X1 2/20 0.34
DPP4 P27487 1/20 0.34
DPP9 Q86TI2 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
SCHEMBL15840417 0.94 SIRT6 (0.48) SIRT6SIRT1NOD1TLR2SLC6A5
SCHEMBL17323294 0.91 CTSS (0.37) SIRT6SIRT1CTSSCTSKTLR2
SCHEMBL22297882 0.87 SIRT6 (0.46) SIRT6SIRT1CA1CA2NMT2
SCHEMBL15840416 0.85 BMP1 (0.43) CA2NMT2NMT1NOD1DPP8
SCHEMBL15840410 0.85 GLO1 (0.35) SIRT6SIRT1NMT2NMT1DPP7
SCHEMBL17323373 0.84 NMT2 (0.36) NMT2NMT1
SCHEMBL15840383 0.84 PTGS1 (0.39)
SCHEMBL15840414 0.82 GLO1 (0.44)
SCHEMBL15840455 0.81 NMT1 (0.36) NMT2NMT1TLR2OPRM1OPRD1
SCHEMBL21990981 0.81 SIRT6 (0.34) SIRT6SIRT1NMT2NMT1NOD1

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-2014095773-A1 PEPTIDES AS OXYTOCIN AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2014-06-26 WO disclosed