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SCHEMBL24155349

SCHEMBL24155349

CC(C)CC(NC(=O)C(N)CCCNC(=N)N)C(=O)NC(CC(C)C)C(=O)NC(C)(CCCCCCCCCCC(C)(NC(=O)C(CO)NC(=O)C(C)NC(=O)c1ccccn1)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C(N)=O)C(N)=O

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 14/20 0.45
▸ NPY1R P25929 9/20 0.45
▸ NPY5R Q15761 8/20 0.45
▸ NPY2R P49146 5/20 0.45
▸ KISS1R Q969F8 1/20 0.38

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
SCHEMBL25759551 1.00 NPY4R (0.45) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL25758506 0.98 NPY4R (0.44) NPY4RNPY1RNPY5RNPY2R
SCHEMBL25758174 0.80 NPY5R (0.41) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL25759233 0.77 NPY5R (0.39) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL25758263 0.76 TFPI (0.40) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL25758366 0.76 NPY4R (0.37) NPY4RNPY1RNPY5RNPY2R
SCHEMBL29947151 0.70 NPY4R (0.70) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL29947137 0.70 NPY4R (0.70) NPY4RNPY1RNPY5RNPY2RKISS1R
Hydrochloric Acid SCHEMBL11139191 0.68 CTSK (0.45) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL31369288 0.68 NPY4R (0.62) 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-2021263069-A1 CYCLIC PEPTIDE COMPOUNDS AND METHODS OF USE LI FENGQIAO (US) 2021-12-30 — — WO disclosed
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