SCHEMBL30277111

SCHEMBL30277111

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

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 3/20 0.56
▸ CTSS P25774 3/20 0.56
▸ CTSK P43235 3/20 0.56
▸ CTSH P09668 1/20 0.56
▸ APLNR P35414 2/20 0.53
▸ C5AR1 P21730 1/20 0.48
▸ RAMP3 O60896 5/20 0.47
▸ CALCR P30988 5/20 0.47
▸ F2 P00734 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
SCHEMBL4807584 0.88 APLNR (0.56) APLNRC5AR1
SCHEMBL4807604 0.88 APLNR (0.56) APLNRC5AR1
SCHEMBL4804787 0.87 APLNR (0.55) CTSLCTSSCTSKCTSHAPLNR
SCHEMBL4804770 0.87 APLNR (0.55) CTSLCTSSCTSKCTSHAPLNR
SCHEMBL29638078 0.87 APLNR (0.57) APLNRF2
SCHEMBL29634120 0.87 CTSL (0.47) CTSLCTSSCTSKCTSHAPLNR
SCHEMBL31265397 0.86 CTSL (0.57) CTSLCTSSCTSKCTSHAPLNR
SCHEMBL31290257 0.86 MC4R (0.55) CTSLCTSSCTSKCTSHAPLNR
SCHEMBL30884601 0.86 APLNR (0.58) APLNRC5AR1RAMP3CALCRF2
SCHEMBL29591975 0.86 APLNR (0.51) CTSLCTSSCTSKCTSHAPLNR

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-115746093-A Active peptide, active peptide composition and application thereof in preparation of product with anti-inflammatory effect 深圳科兴药业有限公司 2023-03-07 — — CN disclosed
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