SCHEMBL31384593

SCHEMBL31384593

CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 6/20 0.56
▸ REN P00797 5/20 0.49
▸ ACE P12821 6/20 0.49
▸ SLC6A2 P23975 1/20 0.47
▸ CTSD P07339 1/20 0.47
▸ ACE2 Q9BYF1 5/20 0.46

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
SCHEMBL29590547 0.94 OPRK1 (0.46) OPRK1RENACESLC6A2CTSD
SCHEMBL29630560 0.94 OPRK1 (0.46) OPRK1RENACESLC6A2CTSD
SCHEMBL30974302 0.93 SLC6A2 (0.50) OPRK1RENSLC6A2
SCHEMBL29701316 0.93 ACE (0.49) OPRK1ACESLC6A2ACE2
SCHEMBL30338091 0.91 ACE (0.50) ACEACE2
SCHEMBL29666757 0.90 ACE (0.50) ACEACE2
SCHEMBL31384590 0.89 MC4R (0.54) OPRK1
SCHEMBL29630596 0.89 MEN1 (0.43) OPRK1RENACE
SCHEMBL31384597 0.88 MC4R (0.54) OPRK1
SCHEMBL31384594 0.88 MC4R (0.54) OPRK1

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-119504931-A Transdermal heptapeptide and application thereof 齐鲁工业大学(山东省科学院) 2025-02-25 — — CN claimed
CN-119504931-A Transdermal heptapeptide and application thereof 齐鲁工业大学(山东省科学院) 2025-02-25 — — CN disclosed
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