SCHEMBL30684885

SCHEMBL30684885

CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DPP3 Q9NY33 5/20 0.58
▸ C5AR1 P21730 2/20 0.51
▸ OPRD1 P41143 7/20 0.51
▸ OPRM1 P35372 3/20 0.51
▸ TACR1 P25103 2/20 0.50
▸ F13A1 P00488 1/20 0.49
▸ TGM2 P21980 1/20 0.49
▸ MC4R P32245 2/20 0.49
▸ MC5R P33032 2/20 0.49
▸ MC3R P41968 2/20 0.49
▸ MC1R Q01726 2/20 0.49
▸ REN P00797 1/20 0.48
▸ SLC6A2 P23975 1/20 0.48

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
SCHEMBL31461898 0.90 OPRD1 (0.54) DPP3C5AR1OPRD1TACR1F13A1
SCHEMBL30448786 0.88 DPP3 (0.57) DPP3C5AR1F13A1TGM2MC4R
SCHEMBL29428971 0.85 C5AR1 (0.66) C5AR1OPRD1OPRM1TACR1MC4R
SCHEMBL30906487 0.84 CALCRL (0.53) C5AR1
SCHEMBL29572021 0.84 DPP3 (0.71) DPP3TACR1RENSLC6A2
SCHEMBL31462084 0.84 C5AR1 (0.59) C5AR1MC4RMC5RMC3RMC1R
SCHEMBL31303834 0.83 DPP3 (0.59) DPP3OPRM1F13A1TGM2REN
SCHEMBL30953538 0.83 DPP3 (0.62) DPP3C5AR1OPRD1OPRM1REN
SCHEMBL29993706 0.83 DPP3 (0.68) DPP3RENSLC6A2
SCHEMBL30955948 0.83 DPP3 (0.65) DPP3OPRD1OPRM1SLC6A2

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-117264015-A Preparation method and application of umami peptide and pleurotus eryngii umami element 中国科学院天津工业生物技术研究所 2023-12-22 — — CN disclosed
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