SCHEMBL29706391

SCHEMBL29706391

CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)CC)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 4/20 0.44
▸ LNPEP Q9UIQ6 3/20 0.39
▸ ANPEP P15144 1/20 0.39
▸ OPRD1 P41143 2/20 0.38
▸ CALCR P30988 4/20 0.38
▸ REN P00797 3/20 0.38
▸ C5AR1 P21730 1/20 0.37
▸ NTSR1 P30989 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
SCHEMBL29706189 0.86 F2 (0.47) F2LNPEPANPEPOPRD1CALCR
SCHEMBL29706215 0.86 F2 (0.45) F2LNPEPANPEPOPRD1CALCR
SCHEMBL29706165 0.85 XIAP (0.46) —
SCHEMBL2946630 0.84 FAP (0.40) F2OPRD1NTSR1
SCHEMBL30040454 0.79 MDM4 (0.45) —
SCHEMBL29706417 0.78 CASP3 (0.47) —
SCHEMBL31558763 0.76 F2 (0.46) F2LNPEPANPEPOPRD1REN
SCHEMBL30445992 0.76 CASP3 (0.39) F2OPRD1NTSR1
SCHEMBL20888357 0.76 REN (0.40) OPRD1RENNTSR1
SCHEMBL30429968 0.75 REN (0.46) OPRD1REN

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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