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Sugi Predict / Compounds / SCHEMBL30490569

SCHEMBL30490569

SCHEMBL30490569

CC(C)[C@H](NC(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 4/20 0.50
▸ OPRK1 P41145 1/20 0.47
▸ NTSR2 O95665 1/20 0.44
▸ NTSR1 P30989 1/20 0.44

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
SCHEMBL30973972 1.00 ACE (0.50) ACEOPRK1NTSR2NTSR1
SCHEMBL30490571 0.95 ACE (0.47) ACE
SCHEMBL29379858 0.93 ACE (0.49) ACEOPRK1NTSR2NTSR1
SCHEMBL30490558 0.92 ACE (0.50) ACEOPRK1
SCHEMBL30361563 0.92 NTSR2 (0.49) ACEOPRK1NTSR2NTSR1
SCHEMBL30490607 0.92 NTSR2 (0.49) ACEOPRK1NTSR2NTSR1
SCHEMBL30173901 0.91 ACE (0.44) ACEOPRK1
SCHEMBL29802076 0.90 ACE (0.51) ACEOPRK1NTSR2NTSR1
SCHEMBL29995105 0.90 ACE (0.55) ACEOPRK1NTSR2NTSR1
SCHEMBL29801880 0.88 ACE (0.50) ACEOPRK1NTSR2NTSR1

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
EP-4214221-A1 ANTIMICROBIAL PEPTIDOMIMETICS Spexis AG (CH) 2023-07-26 — — EP claimed
EP-4214221-A1 ANTIMICROBIAL PEPTIDOMIMETICS Spexis AG (CH) 2023-07-26 — — EP disclosed
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