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Sugi Predict / Compounds / SCHEMBL17166418

SCHEMBL17166418

SCHEMBL17166418

CCCCCCCCCCCCCCCC(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NC(CC(C)C)C(=O)NC

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 9/20 0.56
▸ NPY5R Q15761 8/20 0.56
▸ NPY1R P25929 7/20 0.56
▸ NPY2R P49146 5/20 0.56
▸ NPBWR1 P48145 7/20 0.54
▸ GRIA1 P42261 1/20 0.51
▸ CD40 P25942 1/20 0.49
▸ KISS1R Q969F8 1/20 0.49

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
SCHEMBL17166409 1.00 NPY4R (0.56) NPY4RNPY5RNPY1RNPY2RNPBWR1
SCHEMBL17166399 0.95 GRIA1 (0.55) GRIA1CD40
SCHEMBL14479393 0.94 NPY4R (0.66) NPY4RNPY5RNPY1RNPY2RNPBWR1
SCHEMBL14479420 0.94 NPY4R (0.59) NPY4RNPY5RNPY1RNPY2RNPBWR1
SCHEMBL14479330 0.94 NPY4R (0.59) NPY4RNPY5RNPY1RNPY2RNPBWR1
SCHEMBL14479416 0.94 NPY4R (0.67) NPY4RNPY5RNPY1RNPY2RNPBWR1
SCHEMBL17166408 0.93 NPY4R (0.52) NPY4RNPY5RNPY1RNPY2RNPBWR1
SCHEMBL14479448 0.92 NPBWR1 (0.54) NPY4RNPY5RNPY1RNPY2RNPBWR1
SCHEMBL14479400 0.92 NPBWR1 (0.54) NPY4RNPY5RNPY1RNPY2RNPBWR1
SCHEMBL14479407 0.91 NPY4R (0.48) NPY4RNPY5RNPY1RNPY2RNPBWR1

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-9155795-B2 CXCR4 receptor compounds ANCHOR THERAPEUTICS, INC. (US) 2015-10-13 — — US disclosed
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