SCHEMBL30714770

SCHEMBL30714770

C[C@@H](O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 4/20 0.56
OPRM1 P35372 3/20 0.56
KISS1R Q969F8 4/20 0.49
OPRK1 P41145 1/20 0.48
NPY1R P25929 1/20 0.47
NPY2R P49146 1/20 0.47
NPY4R P50391 1/20 0.47
SLC6A2 P23975 1/20 0.46
BACE1 P56817 2/20 0.44
BACE2 Q9Y5Z0 2/20 0.44
MAGI3 Q5TCQ9 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
SCHEMBL30468672 0.98 OPRD1 (0.57) OPRD1OPRM1KISS1ROPRK1NPY1R
SCHEMBL29707528 0.98 OPRD1 (0.57) OPRD1OPRM1KISS1ROPRK1NPY1R
SCHEMBL30714774 0.93 OPRD1 (0.50) OPRD1OPRM1KISS1ROPRK1BACE1
SCHEMBL29607865 0.93 OPRD1 (0.53) OPRD1OPRM1KISS1ROPRK1BACE1
SCHEMBL30714771 0.92 OPRM1 (0.57) OPRD1OPRM1KISS1ROPRK1NPY1R
SCHEMBL30714766 0.92 OPRD1 (0.57) OPRD1OPRM1KISS1ROPRK1NPY1R
SCHEMBL30839484 0.89 OPRD1 (0.64) OPRD1OPRM1OPRK1NPY1RNPY2R
SCHEMBL30839485 0.89 OPRD1 (0.64) OPRD1OPRM1OPRK1NPY1RNPY2R
SCHEMBL31345044 0.88 BACE1 (0.55) NPY1RNPY2RNPY4RBACE1BACE2
SCHEMBL29517003 0.87 OPRD1 (0.57) OPRD1OPRM1KISS1ROPRK1SLC6A2

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-11826423-B2 Nucleic acids for treatment of allergies IMMUNOMIC THERAPEUTICS, INC. (US) 2023-11-28 US disclosed