SCHEMBL2560446

SCHEMBL2560446

CNCCNC(=O)[C@H](CCCCN)NC(C)=O

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.70
SIRT1 Q96EB6 1/20 0.70
CA1 P00915 3/20 0.55
CA2 P00918 3/20 0.55
TLR2 O60603 3/20 0.50
NMT2 O60551 1/20 0.47
NMT1 P30419 1/20 0.47
GRIA1 P42261 1/20 0.43
GNAI3 P08754 1/20 0.42
GNAO1 P09471 1/20 0.42
GNAI1 P63096 1/20 0.42
PAOX Q6QHF9 2/20 0.42
MMP1 P03956 1/20 0.41
MMP3 P08254 1/20 0.41
MMP9 P14780 1/20 0.41
ITGB3 P05106 2/20 0.41
ITGA2B P08514 2/20 0.41
SIRT5 Q9NXA8 1/20 0.41
CPB2 Q96IY4 1/20 0.40

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
SCHEMBL23685586 0.87 SIRT6 (0.53) SIRT6SIRT1CA1CA2TLR2
SCHEMBL14004705 0.86 SIRT6 (0.51) SIRT6SIRT1CA1CA2TLR2
SCHEMBL18806403 0.85 SIRT6 (0.52) SIRT6SIRT1CA1CA2TLR2
SCHEMBL18916658 0.85 SIRT6 (0.70) SIRT6SIRT1CA1CA2TLR2
SCHEMBL29444177 0.84 SIRT6 (0.68) SIRT6SIRT1CA1CA2TLR2
SCHEMBL2789981 0.82 SIRT6 (0.61) SIRT6SIRT1CA1CA2TLR2
SCHEMBL13331678 0.82 SIRT6 (0.61) SIRT6SIRT1CA1CA2TLR2
SCHEMBL13997595 0.81 SIRT6 (0.46) SIRT6SIRT1CA1CA2TLR2
SCHEMBL20964866 0.80 SIRT6 (0.63) SIRT6SIRT1CA1CA2TLR2
SCHEMBL29397495 0.80 SIRT6 (0.63) SIRT6SIRT1CA1CA2TLR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011133151-A1 COMPOSITIONS COMPRISING ENZYME-CLEAVABLE PHENOL-MODIFIED OPIOID PRODRUGS AND INHIBITORS THEREOF PHARMACOFORE, INC. (US) 2011-10-27 WO disclosed
WO-2011133150-A1 COMPOSITIONS COMPRISING ENZYME-CLEAVABLE PRODRUGS OF ACTIVE AGENTS AND INHIBITORS THEREOF PHARMACOFORE, INC. (US) 2011-10-27 WO disclosed
WO-2011133149-A1 COMPOSITIONS COMPRISING ENZYME-CLEAVABLE OPIOID PRODRUGS AND INHIBITORS THEREOF PHARMACOFORE, INC. (US) 2011-10-27 WO disclosed