SCHEMBL31106970

SCHEMBL31106970

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

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC15A2 Q16348 1/20 0.51
NMT2 O60551 3/20 0.44
NMT1 P30419 3/20 0.44
FOLH1 Q04609 1/20 0.44
NPY4R P50391 9/20 0.42
NPY1R P25929 6/20 0.42
NPY2R P49146 6/20 0.42
NPY5R Q15761 6/20 0.42
SIRT6 Q8N6T7 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
SLC6A5 Q9Y345 1/20 0.41
TLR2 O60603 1/20 0.41
ROCK2 O75116 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
SCHEMBL5598713 1.00 SLC15A2 (0.51) SLC15A2NMT2NMT1FOLH1NPY4R
SCHEMBL30372694 1.00 SLC15A2 (0.51) SLC15A2NMT2NMT1FOLH1NPY4R
SCHEMBL5598706 1.00 SLC15A2 (0.51) SLC15A2NMT2NMT1FOLH1NPY4R
SCHEMBL29461533 1.00 SLC15A2 (0.51) SLC15A2NMT2NMT1FOLH1NPY4R
SCHEMBL31717990 1.00 SLC15A2 (0.51) SLC15A2NMT2NMT1FOLH1NPY4R
SCHEMBL30713830 1.00 SLC15A2 (0.51) SLC15A2NMT2NMT1FOLH1NPY4R
SCHEMBL30373028 1.00 SLC15A2 (0.51) SLC15A2NMT2NMT1FOLH1NPY4R
SCHEMBL2241862 0.99 SLC15A2 (0.50) SLC15A2NMT2NMT1FOLH1NPY4R
SCHEMBL4589283 0.99 SLC15A2 (0.50) SLC15A2NMT2NMT1FOLH1NPY4R
SCHEMBL31472996 0.99 SLC15A2 (0.50) SLC15A2NMT2NMT1FOLH1NPY4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118684726-A Gly/Ser/Thr-Lys-Arg-Lys-gemcitabine, synthesis, activity and application thereof 首都医科大学 2024-09-24 CN claimed
CN-118684726-A Gly/Ser/Thr-Lys-Arg-Lys-gemcitabine, synthesis, activity and application thereof 首都医科大学 2024-09-24 CN disclosed