SCHEMBL30018500

SCHEMBL30018500

CC(C)[C@H](N)C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ DPP3 Q9NY33 5/20 0.67
▸ CXCR4 P61073 4/20 0.58
▸ NTSR2 O95665 1/20 0.56
▸ NTSR1 P30989 1/20 0.56
▸ SORT1 Q99523 1/20 0.56
▸ TACR1 P25103 2/20 0.54
▸ C5AR1 P21730 2/20 0.54
▸ CXCL8 P10145 5/20 0.54
▸ CCKAR P32238 1/20 0.53
▸ CCKBR P32239 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
SCHEMBL30670487 0.87 CXCR4 (0.64) CXCR4C5AR1CXCL8
SCHEMBL30066910 0.87 CXCR4 (0.58) DPP3CXCR4NTSR2NTSR1SORT1
SCHEMBL30921660 0.86 DPP3 (0.64) DPP3CXCR4NTSR2NTSR1SORT1
SCHEMBL34461097 0.86 CXCR4 (0.59) DPP3CXCR4C5AR1
SCHEMBL29660518 0.85 KISS1R (0.62) DPP3CXCR4TACR1
SCHEMBL31090175 0.85 DPP3 (0.77) DPP3
SCHEMBL30665991 0.84 CXCR4 (0.60) CXCR4TACR1C5AR1
SCHEMBL28737909 0.84 TACR1 (0.62) CXCR4TACR1C5AR1CXCL8CCKBR
SCHEMBL32677411 0.84 DPP3 (0.58) DPP3CXCR4CXCL8CCKBR
SCHEMBL30507888 0.83 DPP3 (0.57) DPP3CXCR4NTSR2NTSR1SORT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112592396-B Bioactive peptide VDPFSKKDW as well as preparation method and application thereof 上海交通大学 2022-10-21 — — CN claimed
CN-112592396-B Bioactive peptide VDPFSKKDW as well as preparation method and application thereof 上海交通大学 2022-10-21 — — CN disclosed
CN-112592396-B Bioactive peptide VDPFSKKDW as well as preparation method and application thereof 上海交通大学 2022-10-21 — — CN disclosed
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