SCHEMBL30798900

SCHEMBL30798900

NCCCC[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACE P12821 3/20 0.55
OPRK1 P41145 3/20 0.53
OPRM1 P35372 5/20 0.52
OPRD1 P41143 4/20 0.49
BDKRB2 P30411 1/20 0.48
F2 P00734 1/20 0.48

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
SCHEMBL30799121 0.97 ACE (0.57) ACEOPRK1OPRM1OPRD1F2
SCHEMBL29591038 0.88 ACE (0.57) ACEOPRK1OPRM1OPRD1BDKRB2
SCHEMBL29680232 0.87 ACE (0.54) ACEOPRK1OPRM1OPRD1BDKRB2
SCHEMBL416628 0.84 OPRK1 (0.55) ACEOPRK1OPRM1
SCHEMBL416629 0.84 OPRK1 (0.55) ACEOPRK1OPRM1
SCHEMBL30040838 0.84 ACE (0.49) ACEOPRK1OPRM1
SCHEMBL30608509 0.84 ACE (0.61) ACEOPRM1OPRD1
SCHEMBL31031502 0.84 OPRK1 (0.59) ACEOPRK1OPRM1OPRD1F2
SCHEMBL29591241 0.83 ACE (0.51) ACEOPRK1OPRM1OPRD1BDKRB2
SCHEMBL29666779 0.83 ACE (0.62) ACEOPRK1F2

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
US-11911451-B2 Composition of tumor-associated proliferative peptides and related anti-cancer immunogen for the treatment of lung cancers and other cancers ImmuLogix Ltd (US) 2024-02-27 US disclosed