SCHEMBL30441425

SCHEMBL30441425

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

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SLC15A2 Q16348 1/20 0.43
▸ C5AR1 P21730 2/20 0.39
▸ FNTA P49354 4/20 0.39
▸ FNTB P49356 4/20 0.39
▸ BACE1 P56817 8/20 0.38
▸ BACE2 Q9Y5Z0 2/20 0.38
▸ CTSD P07339 1/20 0.38
▸ CASP3 P42574 1/20 0.37
▸ CASP7 P55210 1/20 0.37
▸ AGTR1 P30556 1/20 0.37
▸ AGTR2 P50052 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
SCHEMBL29808308 0.92 C5AR1 (0.41) SLC15A2C5AR1BACE1BACE2CTSD
SCHEMBL29653453 0.91 SLC15A2 (0.44) SLC15A2BACE1
SCHEMBL30600995 0.90 SLC15A2 (0.39) SLC15A2BACE1BACE2CTSD
SCHEMBL29381521 0.90 BACE1 (0.40) SLC15A2BACE1BACE2CTSD
SCHEMBL29622914 0.90 SLC15A2 (0.38) SLC15A2
SCHEMBL29530561 0.89 SLC15A2 (0.39) SLC15A2C5AR1
SCHEMBL30539513 0.89 BACE1 (0.40) SLC15A2C5AR1BACE1BACE2CTSD
SCHEMBL32677403 0.89 BACE1 (0.45) FNTAFNTBBACE1BACE2CTSD
SCHEMBL29833166 0.88 CALCR (0.38) SLC15A2
SCHEMBL31265398 0.88 SLC15A2 (0.48) SLC15A2C5AR1FNTAFNTB

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-114796123-B Self-assembled peptide nano-preparation with anti-hepatic fibrosis function and preparation method and application thereof 安徽医科大学 2023-06-23 — — CN disclosed
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