SCHEMBL29498733

SCHEMBL29498733

N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ DPP3 Q9NY33 5/20 0.63
▸ MEN1 O00255 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ ITGB2 P05107 1/20 0.56
▸ ICAM1 P05362 1/20 0.56
▸ ITGAL P20701 1/20 0.56
▸ DPP4 P27487 1/20 0.56
▸ ECE1 P42892 6/20 0.53
▸ ACE P12821 1/20 0.53

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
SCHEMBL29842186 0.94 DPP3 (0.65) DPP3MEN1KMT2AITGB2ICAM1
SCHEMBL30272514 0.92 DPP3 (0.57) DPP3DPP4ECE1
SCHEMBL30050936 0.91 DPP3 (0.69) DPP3MEN1KMT2AITGB2ICAM1
SCHEMBL29963309 0.91 DPP3 (0.64) DPP3MEN1KMT2AITGB2ICAM1
SCHEMBL30051252 0.90 DPP3 (0.65) DPP3MEN1KMT2AITGB2ICAM1
SCHEMBL30052255 0.90 DPP3 (0.69) DPP3MEN1KMT2AITGB2ICAM1
SCHEMBL30052964 0.90 DPP3 (0.69) DPP3MEN1KMT2AITGB2ICAM1
SCHEMBL31452913 0.89 DPP3 (0.61) DPP3
SCHEMBL29454483 0.89 DPP3 (0.57) DPP3DPP4ECE1
SCHEMBL29454493 0.89 DPP3 (0.57) DPP3DPP4ECE1

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-113035291-B Method for designing DPP-IV inhibitory peptide by computer-assisted medicine, DPP-IV inhibitory peptide and application thereof 广东药科大学 2022-04-05 — — CN disclosed
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