SCHEMBL29802102

SCHEMBL29802102

C[C@H](N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.45
▸ CTSL P07711 3/20 0.45
▸ CTSS P25774 3/20 0.45
▸ CTSK P43235 3/20 0.45
▸ CTSH P09668 1/20 0.45
▸ OPRM1 P35372 6/20 0.44
▸ OPRK1 P41145 6/20 0.44
▸ C5AR1 P21730 2/20 0.43
▸ ACE P12821 1/20 0.42
▸ NTSR2 O95665 1/20 0.41
▸ NTSR1 P30989 1/20 0.41

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
SCHEMBL29801886 0.93 OPRM1 (0.47) CTSLCTSSCTSKCTSHOPRM1
SCHEMBL29802052 0.91 ACE (0.48) F2CTSLCTSSCTSKCTSH
SCHEMBL29802046 0.89 OPRM1 (0.54) CTSLCTSSCTSKCTSHOPRM1
SCHEMBL29802279 0.89 NTSR2 (0.47) F2OPRM1C5AR1NTSR2NTSR1
SCHEMBL29801933 0.89 ACE (0.45) CTSLCTSSCTSKCTSHOPRM1
SCHEMBL30733285 0.88 F2 (0.48) F2CTSLCTSSCTSKCTSH
SCHEMBL30205431 0.87 CTSL (0.49) F2CTSLCTSSCTSKCTSH
SCHEMBL29571867 0.86 F2 (0.46) F2OPRM1ACENTSR2NTSR1
SCHEMBL29568917 0.86 ITGB3 (0.48) F2CTSLCTSSCTSKC5AR1
SCHEMBL29801712 0.86 ACE (0.48) CTSLCTSSCTSKCTSHOPRM1

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
WO-2022188878-A1 MULTIFUNCTIONAL POLYPEPTIDE AND APPLICATION THEREOF IN FIELD OF MEDICINES 武汉英纳氏药业有限公司 2022-09-15 — — WO disclosed
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