SCHEMBL30714766

SCHEMBL30714766

CC(C)C[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 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 5/20 0.57
OPRM1 P35372 3/20 0.57
NPY4R P50391 3/20 0.54
NPY1R P25929 2/20 0.54
NPY2R P49146 2/20 0.54
KISS1R Q969F8 4/20 0.53
OPRK1 P41145 1/20 0.52
BACE1 P56817 4/20 0.51
BACE2 Q9Y5Z0 2/20 0.51
FOLH1 Q04609 1/20 0.50
NPY5R Q15761 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
SCHEMBL29575832 0.93 NPY4R (0.60) OPRD1OPRM1NPY4RNPY1RNPY2R
SCHEMBL30714770 0.92 OPRD1 (0.56) OPRD1OPRM1NPY4RNPY1RNPY2R
SCHEMBL30714771 0.91 OPRM1 (0.57) OPRD1OPRM1NPY4RNPY1RNPY2R
SCHEMBL30468672 0.90 OPRD1 (0.57) OPRD1OPRM1NPY4RNPY1RNPY2R
SCHEMBL29707528 0.90 OPRD1 (0.57) OPRD1OPRM1NPY4RNPY1RNPY2R
SCHEMBL32670339 0.89 NPY4R (0.57) OPRD1NPY4RNPY1RNPY2RBACE1
SCHEMBL30818279 0.89 KISS1R (0.56) OPRD1OPRM1NPY4RNPY1RNPY2R
SCHEMBL30317543 0.89 NPY4R (0.60) OPRD1OPRM1NPY4RNPY1RNPY2R
SCHEMBL30974311 0.89 KISS1R (0.58) OPRD1OPRM1NPY4RNPY1RNPY2R
SCHEMBL31516406 0.88 OPRD1 (0.61) OPRD1OPRM1NPY4RNPY1RNPY2R

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