SCHEMBL30492101

SCHEMBL30492101

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

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NMT1 P30419 5/20 0.45
▸ NMT2 O60551 4/20 0.45
▸ SLC6A5 Q9Y345 1/20 0.45
▸ NPY4R P50391 6/20 0.42
▸ NPY5R Q15761 5/20 0.42
▸ NPY1R P25929 4/20 0.42
▸ NPY2R P49146 2/20 0.42
▸ FOLH1 Q04609 1/20 0.42
▸ TLR2 O60603 1/20 0.42
▸ ROCK2 O75116 1/20 0.41
▸ SLC15A2 Q16348 1/20 0.40
▸ NPBWR1 P48145 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
SCHEMBL30492110 0.96 NMT1 (0.43) NMT1NMT2SLC6A5NPY4RNPY5R
SCHEMBL29435094 0.92 SLC15A2 (0.45) NMT1NMT2SLC6A5NPY4RNPY5R
SCHEMBL30062951 0.91 SLC15A2 (0.44) NMT1NMT2SLC6A5NPY4RNPY5R
SCHEMBL17930107 0.89 SLC15A2 (0.47) NMT1NMT2SLC6A5NPY4RNPY5R
SCHEMBL29357200 0.89 NPBWR1 (0.44) NMT1NMT2SLC6A5NPY4RNPY5R
SCHEMBL8010129 0.88 NPY4R (0.45) NMT1NMT2SLC6A5NPY4RNPY5R
SCHEMBL8010124 0.88 NPY4R (0.45) NMT1NMT2SLC6A5NPY4RNPY5R
SCHEMBL5598740 0.88 NMT2 (0.43) NMT1NMT2SLC6A5NPY4RNPY5R
SCHEMBL31717990 0.87 SLC15A2 (0.51) NMT1NMT2SLC6A5NPY4RNPY5R
SCHEMBL31106970 0.87 SLC15A2 (0.51) NMT1NMT2SLC6A5NPY4RNPY5R

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
CN-116406302-A Method of transglutaminase conjugation with amino acid based linkers 阿拉里斯生物技术股份公司 2023-07-07 — — CN disclosed
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