SCHEMBL29938491

SCHEMBL29938491

CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 18/20 0.52
▸ NPY1R P25929 11/20 0.52
▸ NPY5R Q15761 10/20 0.52
▸ NPY2R P49146 7/20 0.47
▸ GNPAT O15228 1/20 0.42

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
SCHEMBL29978629 0.95 NPY4R (0.56) NPY4RNPY1RNPY5RNPY2R
SCHEMBL29872146 0.91 NPY4R (0.53) NPY4RNPY1RNPY5RNPY2R
SCHEMBL31665996 0.90 NPY4R (0.45) NPY4RNPY1RNPY5RNPY2R
SCHEMBL29485126 0.89 GNPAT (0.48) NPY4RNPY1RNPY5RNPY2RGNPAT
SCHEMBL30905698 0.89 NPY4R (0.47) NPY4RNPY1RNPY5RNPY2R
SCHEMBL30603184 0.87 NPY4R (0.53) NPY4RNPY1RNPY5RNPY2R
SCHEMBL30905098 0.87 NPY4R (0.47) NPY4RNPY1RNPY5RNPY2RGNPAT
SCHEMBL29608915 0.87 NPY4R (0.43) NPY4RNPY1RNPY5RNPY2RGNPAT
SCHEMBL30213589 0.87 NPY4R (0.52) NPY4RNPY1RNPY5RNPY2R
SCHEMBL29777843 0.87 NPY4R (0.51) 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
US-20220356463-A1 LIBRARIES FOR MUTATIONAL ANALYSIS TWIST BIOSCIENCE CORP (US) 2022-11-10 — — US disclosed
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