SCHEMBL23314705

SCHEMBL23314705

CNCCC(=O)N[C@@H](CCCCN)C(=O)NC

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NMT1 P30419 6/20 0.50
NMT2 O60551 5/20 0.50
SIRT6 Q8N6T7 1/20 0.45
SIRT1 Q96EB6 1/20 0.45
SLC6A5 Q9Y345 1/20 0.44
TLR2 O60603 1/20 0.41
FOLH1 Q04609 1/20 0.41
MMP1 P03956 1/20 0.40
MMP3 P08254 1/20 0.40
ROCK2 O75116 1/20 0.38
CHRND Q07001 5/20 0.38
CHRNA1 P02708 1/20 0.38
CHRNG P07510 1/20 0.38
CHRNB1 P11230 1/20 0.38

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
SCHEMBL23314723 0.93 NMT1 (0.52) NMT1NMT2SIRT6SIRT1SLC6A5
SCHEMBL21541320 0.89 NMT1 (0.50) NMT1NMT2SIRT6SIRT1SLC6A5
SCHEMBL23736233 0.87 NMT1 (0.50) NMT1NMT2SIRT6SIRT1SLC6A5
SCHEMBL20357606 0.86 SLC6A5 (0.51) NMT1NMT2SIRT6SIRT1SLC6A5
SCHEMBL18067361 0.86 NMT1 (0.45) NMT1NMT2SIRT6SIRT1SLC6A5
SCHEMBL27345758 0.85 NMT1 (0.47) NMT1NMT2SIRT6SIRT1SLC6A5
SCHEMBL7284768 0.84 SIRT6 (0.46) NMT1NMT2SIRT6SIRT1SLC6A5
SCHEMBL23314862 0.82 NMT1 (0.43) NMT1NMT2SIRT6SIRT1SLC6A5
SCHEMBL21944205 0.81 SIRT6 (0.47) NMT1NMT2SIRT6SIRT1TLR2
SCHEMBL16976133 0.80 SLC6A5 (0.62) NMT1NMT2SIRT6SIRT1SLC6A5

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
EP-3145944-B1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2021-05-05 EP disclosed