SCHEMBL29802069

SCHEMBL29802069

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

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 5/20 0.46
▸ OPRK1 P41145 1/20 0.45
▸ MC4R P32245 1/20 0.44
▸ NTSR2 O95665 1/20 0.39
▸ NTSR1 P30989 1/20 0.39
▸ C5AR1 P21730 1/20 0.39
▸ CTSL P07711 1/20 0.39
▸ CTSH P09668 1/20 0.39
▸ CTSS P25774 1/20 0.39
▸ CTSK P43235 1/20 0.39

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
SCHEMBL29801712 0.93 ACE (0.48) ACEOPRK1MC4RNTSR2NTSR1
SCHEMBL29802052 0.91 ACE (0.48) ACEOPRK1MC4RC5AR1CTSL
SCHEMBL30205299 0.88 MC4R (0.48) MC4RC5AR1CTSLCTSHCTSS
SCHEMBL29590456 0.86 TRHR (0.41) ACE
SCHEMBL29630526 0.86 TRHR (0.41) ACE
SCHEMBL29801886 0.86 OPRM1 (0.47) ACEOPRK1C5AR1CTSLCTSH
SCHEMBL29630596 0.84 MEN1 (0.43) ACEOPRK1MC4R
SCHEMBL31467764 0.84 MC4R (0.50) ACEOPRK1MC4RC5AR1CTSL
SCHEMBL29802279 0.83 NTSR2 (0.47) NTSR2NTSR1C5AR1
SCHEMBL29630670 0.82 TRHR (0.42) ACEOPRK1

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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