SCHEMBL17993335

SCHEMBL17993335

CN[C@@H](CCCCN)C(=O)N[C@H](C=O)CO

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NMT1 P30419 6/20 0.41
▸ NMT2 O60551 5/20 0.41
▸ SIRT6 Q8N6T7 1/20 0.38
▸ SIRT1 Q96EB6 1/20 0.38
▸ FOLH1 Q04609 1/20 0.37
▸ SLC6A5 Q9Y345 1/20 0.35
▸ CPB2 Q96IY4 3/20 0.34
▸ TLR2 O60603 1/20 0.34
▸ DPP8 Q6V1X1 1/20 0.33
▸ DPP9 Q86TI2 1/20 0.33
▸ DPP7 Q9UHL4 1/20 0.33
▸ GNAI3 P08754 1/20 0.33
▸ GNAO1 P09471 1/20 0.33
▸ GNAI1 P63096 1/20 0.33

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
SCHEMBL17193584 0.91 SIRT6 (0.40) NMT1NMT2SIRT6SIRT1FOLH1
SCHEMBL24095650 0.88 SIRT6 (0.41) NMT1NMT2SIRT6SIRT1FOLH1
SCHEMBL16556724 0.86 NMT2 (0.39) NMT1NMT2SIRT6SIRT1FOLH1
SCHEMBL20729832 0.81 CAPN1 (0.39) NMT1NMT2SIRT6SIRT1FOLH1
SCHEMBL26334930 0.81 CAPN1 (0.39) NMT1NMT2SIRT6SIRT1FOLH1
SCHEMBL25519403 0.80 CTSK (0.43) NMT1NMT2SIRT6SIRT1CPB2
SCHEMBL15886963 0.79 NMT2 (0.37) NMT1NMT2SIRT6SIRT1CPB2
SCHEMBL12072835 0.77 ECE1 (0.35) —
SCHEMBL13668922 0.76 SIRT6 (0.46) NMT1NMT2SIRT6SIRT1FOLH1
SCHEMBL13798774 0.76 SIRT6 (0.46) NMT1NMT2SIRT6SIRT1FOLH1

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-2571893-B1 NOVEL CYCLODECAPEPTIDE COMPOUNDS FOR USE AS DRUGS Commissariat à l'énergie atomique et aux énergies alternatives (FR) 2016-08-10 — — EP disclosed
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