SCHEMBL29802052

SCHEMBL29802052

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)O

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 6/20 0.48
▸ OPRK1 P41145 4/20 0.43
▸ CTSL P07711 2/20 0.41
▸ CTSS P25774 2/20 0.41
▸ CTSK P43235 2/20 0.41
▸ CTSH P09668 1/20 0.41
▸ MC4R P32245 1/20 0.40
▸ OPRM1 P35372 3/20 0.40
▸ C5AR1 P21730 1/20 0.39
▸ F2 P00734 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
SCHEMBL29801886 0.94 OPRM1 (0.47) ACEOPRK1CTSLCTSSCTSK
SCHEMBL29802102 0.91 F2 (0.45) ACEOPRK1CTSLCTSSCTSK
SCHEMBL29802069 0.91 ACE (0.46) ACEOPRK1CTSLCTSSCTSK
SCHEMBL29801712 0.90 ACE (0.48) ACEOPRK1CTSLCTSSCTSK
SCHEMBL29801933 0.89 ACE (0.45) ACEOPRK1CTSLCTSSCTSK
SCHEMBL29801987 0.87 ACE (0.52) ACEOPRK1
SCHEMBL29802427 0.87 ACE (0.52) ACEOPRK1
SCHEMBL29802040 0.82 ACE (0.52) ACEOPRK1OPRM1F2
SCHEMBL29801883 0.81 ACE (0.51) ACEOPRK1OPRM1
SCHEMBL8000316 0.81 SLC15A2 (0.47) —

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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