SCHEMBL31127569

SCHEMBL31127569

C[C@H](NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NTSR2 O95665 1/20 0.54
▸ NTSR1 P30989 1/20 0.54
▸ SORT1 Q99523 1/20 0.54
▸ CXCR4 P61073 6/20 0.53
▸ DPP3 Q9NY33 3/20 0.49
▸ TACR1 P25103 2/20 0.48
▸ DPP4 P27487 1/20 0.48
▸ C5AR1 P21730 1/20 0.47
▸ F2 P00734 1/20 0.47
▸ OPRD1 P41143 1/20 0.46

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
SCHEMBL29556676 0.85 CXCR4 (0.55) NTSR2NTSR1SORT1CXCR4DPP3
SCHEMBL29973187 0.85 CXCR4 (0.56) NTSR2NTSR1SORT1CXCR4DPP3
SCHEMBL30866236 0.85 NTSR2 (0.60) NTSR2NTSR1SORT1DPP3TACR1
SCHEMBL30974490 0.84 CXCR4 (0.58) NTSR2NTSR1SORT1CXCR4DPP3
SCHEMBL30051442 0.83 DPP4 (0.62) NTSR2NTSR1SORT1DPP3TACR1
SCHEMBL31737281 0.83 CXCR4 (0.55) NTSR2NTSR1SORT1CXCR4DPP3
SCHEMBL30497472 0.83 CXCR4 (0.55) NTSR2NTSR1SORT1CXCR4DPP3
SCHEMBL31147165 0.82 CXCR4 (0.55) NTSR2NTSR1SORT1CXCR4DPP3
SCHEMBL30769646 0.82 NTSR2 (0.65) NTSR2NTSR1SORT1CXCR4DPP3
SCHEMBL30974523 0.81 CXCR4 (0.57) CXCR4C5AR1

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-118420708-A Urechis unicinctus reconstruction peptide ACE (angiotensin converting enzyme) inhibitory peptide and application thereof in medicines for preventing or treating hypertension 北京石油化工学院 2024-08-02 — — CN disclosed
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