SCHEMBL30747550

SCHEMBL30747550

CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 2/20 0.39
▸ NPY1R P25929 1/20 0.38
▸ NPY2R P49146 1/20 0.38
▸ NPY4R P50391 1/20 0.38
▸ MME P08473 1/20 0.38
▸ BACE1 P56817 6/20 0.38
▸ BACE2 Q9Y5Z0 2/20 0.38
▸ CTSD P07339 1/20 0.38
▸ SLC15A2 Q16348 1/20 0.37
▸ NTSR2 O95665 1/20 0.37
▸ NTSR1 P30989 1/20 0.37
▸ ERAP2 Q6P179 1/20 0.37
▸ ERAP1 Q9NZ08 1/20 0.37
▸ LNPEP Q9UIQ6 1/20 0.37

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
SCHEMBL31385114 0.92 SLC15A2 (0.41) MMESLC15A2
SCHEMBL29531670 0.91 OPRK1 (0.44) OPRK1NPY1RNPY2RNPY4RSLC15A2
SCHEMBL30645280 0.89 OPRK1 (0.46) OPRK1NPY1RNPY2RNPY4RSLC15A2
SCHEMBL29380915 0.88 OPRK1 (0.41) OPRK1NPY1RNPY2RNPY4RSLC15A2
SCHEMBL30069323 0.88 OPRK1 (0.41) OPRK1NPY1RNPY2RNPY4RSLC15A2
SCHEMBL29798173 0.88 OPRK1 (0.46) OPRK1NPY1RNPY2RNPY4RSLC15A2
SCHEMBL30762202 0.88 SLC15A2 (0.44) SLC15A2ERAP2LNPEP
SCHEMBL29936627 0.88 SLC15A2 (0.44) MMESLC15A2ERAP2LNPEP
SCHEMBL29398799 0.87 CCNA2 (0.44) OPRK1NPY1RNPY2RNPY4RSLC15A2
SCHEMBL30645270 0.87 NPY4R (0.47) OPRK1NPY1RNPY2RNPY4RSLC15A2

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-117430666-A Novel DPP-IV (dipeptidyl peptidase IV) inhibitory peptide derived from yak hemoglobin, and acquisition method and application thereof 浙江省农业科学院 2024-01-23 — — CN disclosed
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