SCHEMBL29808351

SCHEMBL29808351

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 4/20 0.54
▸ AGTR1 P30556 1/20 0.50
▸ AGTR2 P50052 1/20 0.50
▸ MAPK8 P45983 1/20 0.50
▸ MAPK9 P45984 1/20 0.50
▸ MAPK10 P53779 1/20 0.50
▸ APLNR P35414 2/20 0.50
▸ CTSL P07711 2/20 0.49
▸ CTSS P25774 2/20 0.49
▸ CTSK P43235 2/20 0.49
▸ CTSH P09668 1/20 0.49
▸ C5AR1 P21730 1/20 0.49
▸ CXCR4 P61073 1/20 0.48
▸ NPY1R P25929 1/20 0.48
▸ NPY2R P49146 1/20 0.48
▸ NPY4R P50391 1/20 0.48
▸ NPY5R Q15761 1/20 0.48
▸ CALCR P30988 3/20 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
SCHEMBL29808558 0.99 F2 (0.54) F2AGTR1AGTR2MAPK8MAPK9
SCHEMBL30441868 0.96 F2 (0.52) F2AGTR1AGTR2MAPK8MAPK9
SCHEMBL30442638 0.96 F2 (0.51) F2AGTR1AGTR2MAPK8MAPK9
SCHEMBL30262103 0.91 F2 (0.60) F2MAPK8MAPK9MAPK10NPY1R
SCHEMBL30862104 0.90 CTSL (0.52) F2APLNRCTSLCTSSCTSK
SCHEMBL30369010 0.88 GLP1R (0.45) —
SCHEMBL30338427 0.88 F2 (0.52) F2CTSLCTSSCTSKCTSH
SCHEMBL9295042 0.87 RAMP3 (0.52) APLNRCTSLCTSSCTSKCTSH
SCHEMBL9295015 0.87 RAMP3 (0.52) APLNRCTSLCTSSCTSKCTSH
SCHEMBL30325295 0.87 F2 (0.56) F2APLNRC5AR1CXCR4NPY1R

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-A Self-assembled peptide nano preparation with anti-hepatic fibrosis function and preparation method and application thereof 安徽医科大学 2022-07-29 — — CN claimed
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