SCHEMBL23314723

SCHEMBL23314723

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

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NMT1 P30419 6/20 0.52
NMT2 O60551 5/20 0.52
SLC6A5 Q9Y345 1/20 0.46
SIRT6 Q8N6T7 1/20 0.44
SIRT1 Q96EB6 1/20 0.44
TLR2 O60603 1/20 0.43
FOLH1 Q04609 1/20 0.40
MMP1 P03956 1/20 0.39
MMP3 P08254 1/20 0.39
CALCRL Q16602 2/20 0.39
ROCK2 O75116 3/20 0.37
PRKACA P17612 1/20 0.37
AKT3 Q9Y243 1/20 0.37
NOD1 Q9Y239 1/20 0.37

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
SCHEMBL23314705 0.93 NMT1 (0.50) NMT1NMT2SLC6A5SIRT6SIRT1
SCHEMBL21541320 0.88 NMT1 (0.50) NMT1NMT2SLC6A5SIRT6SIRT1
SCHEMBL20357606 0.85 SLC6A5 (0.51) NMT1NMT2SLC6A5SIRT6SIRT1
SCHEMBL27345758 0.84 NMT1 (0.47) NMT1NMT2SLC6A5SIRT6SIRT1
SCHEMBL23736233 0.83 NMT1 (0.50) NMT1NMT2SLC6A5SIRT6SIRT1
SCHEMBL7284768 0.83 SIRT6 (0.46) NMT1NMT2SLC6A5SIRT6SIRT1
SCHEMBL21944205 0.82 SIRT6 (0.47) NMT1NMT2SIRT6SIRT1TLR2
SCHEMBL2628438 0.82 NMT1 (0.49) NMT1NMT2SLC6A5SIRT6SIRT1
SCHEMBL16976133 0.82 SLC6A5 (0.62) NMT1NMT2SLC6A5SIRT6SIRT1
SCHEMBL23447401 0.81 NMT1 (0.51) NMT1NMT2SLC6A5SIRT6SIRT1

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