SCHEMBL30631666

SCHEMBL30631666

CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C(C)C

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 3/20 0.62
▸ CTSS P25774 3/20 0.62
▸ CTSK P43235 3/20 0.62
▸ CTSH P09668 1/20 0.62
▸ C5AR1 P21730 2/20 0.62
▸ CXCR4 P61073 5/20 0.56
▸ CTNNB1 P35222 1/20 0.56
▸ APLNR P35414 1/20 0.55
▸ NMBR P28336 2/20 0.55
▸ GRPR P30550 2/20 0.55
▸ GLP1R P43220 3/20 0.54
▸ GCGR P47871 3/20 0.54
▸ KISS1R Q969F8 2/20 0.54

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
SCHEMBL31182480 0.93 C5AR1 (0.64) CTSLCTSSCTSKCTSHC5AR1
SCHEMBL30832366 0.92 C5AR1 (0.62) CTSLCTSSCTSKCTSHC5AR1
SCHEMBL30262010 0.91 CTSL (0.64) CTSLCTSSCTSKCTSHC5AR1
SCHEMBL31182510 0.91 C5AR1 (0.65) CTSLCTSSCTSKCTSHC5AR1
SCHEMBL29638061 0.91 CTSL (0.67) CTSLCTSSCTSKCTSHC5AR1
SCHEMBL31725194 0.89 CTSL (0.63) CTSLCTSSCTSKCTSHC5AR1
SCHEMBL29638083 0.89 CTSL (0.67) CTSLCTSSCTSKCTSHCXCR4
SCHEMBL38663455 0.88 C5AR1 (0.63) CTSLCTSSCTSKCTSHC5AR1
SCHEMBL30881892 0.88 C5AR1 (0.70) C5AR1CXCR4GLP1RGCGR
SCHEMBL29913348 0.88 C5AR1 (0.58) CTSLCTSSCTSKCTSHC5AR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117024512-B Anxiolytic active peptide, and preparation method and application thereof 北京工商大学 2024-05-14 — — CN disclosed
CN-117024512-A Anxiolytic active peptide, and preparation method and application thereof 北京工商大学 2023-11-10 — — CN disclosed
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