SCHEMBL29706189

SCHEMBL29706189

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

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 4/20 0.47
▸ CTSL P07711 3/20 0.41
▸ CTSS P25774 3/20 0.41
▸ CTSK P43235 3/20 0.41
▸ LNPEP Q9UIQ6 3/20 0.41
▸ ANPEP P15144 1/20 0.41
▸ OPRD1 P41143 2/20 0.40
▸ NTSR1 P30989 2/20 0.40
▸ CTSH P09668 1/20 0.40
▸ XIAP P98170 1/20 0.40
▸ REN P00797 1/20 0.39
▸ AGTR1 P30556 1/20 0.38
▸ CALCR P30988 1/20 0.38
▸ PTPN1 P18031 1/20 0.38

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
SCHEMBL29706215 0.94 F2 (0.45) F2LNPEPANPEPOPRD1NTSR1
SCHEMBL29706391 0.86 F2 (0.44) F2LNPEPANPEPOPRD1NTSR1
SCHEMBL31256944 0.81 LNPEP (0.55) LNPEPANPEPNTSR1XIAPREN
SCHEMBL29568610 0.78 XIAP (0.47) F2LNPEPANPEPNTSR1XIAP
SCHEMBL22022378 0.77 F2 (0.42) F2CTSLCTSSCTSKNTSR1
SCHEMBL29721111 0.77 XIAP (0.48) LNPEPANPEPNTSR1XIAPREN
SCHEMBL32677407 0.77 XIAP (0.49) F2LNPEPANPEPNTSR1XIAP
SCHEMBL32677404 0.77 XIAP (0.49) F2LNPEPANPEPNTSR1XIAP
SCHEMBL29649750 0.77 XIAP (0.56) LNPEPANPEPNTSR1XIAPREN
SCHEMBL31124516 0.76 F2 (0.46) F2OPRD1NTSR1REN

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-116615436-A Disulfide bond-containing polypeptide with serine protease activity inhibiting function, hybrid peptide derived from disulfide bond-containing polypeptide and application of disulfide bond-containing polypeptide 中国医学科学院药物研究所 2023-08-18 — — CN disclosed
CN-114573686-A Polypeptide containing disulfide bond and having serine protease activity inhibition function and application thereof 中国医学科学院药物研究所 2022-06-03 — — CN disclosed
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