SCHEMBL26887003

SCHEMBL26887003

CC(C)CC(NC(=O)CNC(=O)C(CC(C)C)NC(=O)CNC(=O)C(CCCNC(=N)N)NC(=O)CN)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 19/20 0.48
▸ NPY1R P25929 11/20 0.48
▸ NPY5R Q15761 10/20 0.48
▸ NPY2R P49146 7/20 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
SCHEMBL30905698 0.93 NPY4R (0.47) NPY4RNPY1RNPY5RNPY2R
SCHEMBL30543180 0.93 NPY4R (0.52) NPY4RNPY1RNPY5RNPY2R
SCHEMBL26886898 0.92 NPY4R (0.46) NPY4RNPY1RNPY5RNPY2R
SCHEMBL29531964 0.91 NPY4R (0.53) NPY4RNPY1RNPY5RNPY2R
SCHEMBL30826350 0.91 NPY4R (0.47) NPY4RNPY1RNPY5RNPY2R
SCHEMBL30826351 0.90 NPY4R (0.46) NPY4RNPY1RNPY5RNPY2R
SCHEMBL30826349 0.90 NPY4R (0.46) NPY4RNPY1RNPY5RNPY2R
SCHEMBL29875551 0.90 C3AR1 (0.40) NPY4RNPY1RNPY5RNPY2R
SCHEMBL29872146 0.89 NPY4R (0.53) NPY4RNPY1RNPY5RNPY2R
SCHEMBL31593280 0.88 NPY4R (0.39) NPY4RNPY1RNPY5RNPY2R

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
WO-2023225350-A2 COMPOSITIONS AND METHODS FOR COVALENT PEPTIDE-BASED MODULATORS OF HLA-E CALICO LIFE SCIENCES LLC (US) 2023-11-23 — — WO disclosed
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