SCHEMBL5313452

SCHEMBL5313452

N=C(N)NCCC[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)CN)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 19/20 0.58
▸ NPY1R P25929 11/20 0.58
▸ NPY5R Q15761 10/20 0.58
▸ NPY2R P49146 7/20 0.58

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
SCHEMBL30090470 0.95 NPY4R (0.62) NPY4RNPY1RNPY5RNPY2R
SCHEMBL31257079 0.92 NPY4R (0.64) NPY4RNPY1RNPY5RNPY2R
SCHEMBL31590213 0.91 NPY4R (0.62) NPY4RNPY1RNPY5RNPY2R
SCHEMBL31243206 0.90 NPY4R (0.62) NPY4RNPY1RNPY5RNPY2R
SCHEMBL29391074 0.90 NPY4R (0.59) NPY4RNPY1RNPY5RNPY2R
SCHEMBL21481072 0.90 NPY4R (0.59) NPY4RNPY1RNPY5RNPY2R
SCHEMBL30363514 0.87 NPY4R (0.59) NPY4RNPY1RNPY5RNPY2R
SCHEMBL29447211 0.87 GNPAT (0.54) NPY4RNPY1RNPY5RNPY2R
SCHEMBL30692729 0.87 GNPAT (0.54) NPY4RNPY1RNPY5RNPY2R
SCHEMBL15092950 0.87 NPY4R (0.54) 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-2007025366-A1 USE OF HISTOGRANIN AND HISTOGRANIN-LIKE COMPOUNDS AS INHIBITORS OF P2X7 RECEPTOR FUNCTION AND AS ANTI-ARTHRITIC AGENTS BERNATCHEZ-LEMAIRE IRMA (CA) 2007-03-08 — — WO disclosed
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