SCHEMBL30574235

SCHEMBL30574235

O=C(O)CC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 2/20 0.42
▸ FAP Q12884 1/20 0.42
▸ DPP8 Q6V1X1 1/20 0.42
▸ DPP9 Q86TI2 1/20 0.42
▸ DPP7 Q9UHL4 1/20 0.42
▸ CMA1 P23946 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ GRB2 P62993 1/20 0.39
▸ ACE P12821 2/20 0.39
▸ REN P00797 1/20 0.39
▸ ITGB1 P05556 1/20 0.36
▸ ITGA4 P13612 1/20 0.36
▸ PKLR P30613 1/20 0.36

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
SCHEMBL29438447 0.98 DPP4 (0.43) DPP4FAPDPP8DPP9DPP7
SCHEMBL7899891 0.92 GRB2 (0.41) DPP4FAPDPP8DPP9DPP7
SCHEMBL7899895 0.92 GRB2 (0.41) DPP4FAPDPP8DPP9DPP7
Hydrochloric Acid SCHEMBL7899918 0.91 GRB2 (0.41) DPP4FAPDPP8DPP9DPP7
Hydrochloric Acid SCHEMBL7899915 0.91 GRB2 (0.41) DPP4FAPDPP8DPP9DPP7
SCHEMBL29706282 0.89 DPP4 (0.42) DPP4FAPDPP8DPP9DPP7
SCHEMBL15481300 0.89 DPP4 (0.42) DPP4FAPDPP8DPP9DPP7
SCHEMBL29397226 0.88 DPP4 (0.44) DPP4FAPDPP8DPP9DPP7
SCHEMBL30937369 0.87 REN (0.43) GRB2ACEREN
SCHEMBL29591671 0.86 GRB2 (0.44) DPP4FAPDPP8DPP9DPP7

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-116615436-A Disulfide bond-containing polypeptide with serine protease activity inhibiting function, hybrid peptide derived from disulfide bond-containing polypeptide and application of disulfide bond-containing polypeptide 中国医学科学院药物研究所 2023-08-18 — — CN disclosed
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