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SCHEMBL30516190

SCHEMBL30516190

N=C(N)NCCC[C@H](NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 17/20 0.57
▸ NPY1R P25929 10/20 0.57
▸ NPY5R Q15761 9/20 0.57
▸ NPY2R P49146 6/20 0.57
▸ TFPI P10646 1/20 0.49
▸ CD40 P25942 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
SCHEMBL30516186 0.92 TFPI (0.55) NPY4RNPY1RNPY5RNPY2RTFPI
SCHEMBL29384694 0.92 NPY4R (0.64) NPY4RNPY1RNPY5RNPY2R
SCHEMBL29375535 0.91 NPY4R (0.59) NPY4RNPY1RNPY5RNPY2RTFPI
SCHEMBL29376109 0.91 NPY4R (0.59) NPY4RNPY1RNPY5RNPY2RTFPI
SCHEMBL29591770 0.90 NPY4R (0.56) NPY4RNPY1RNPY5RNPY2R
SCHEMBL9522231 0.90 NPY4R (0.51) NPY4RNPY1RNPY5RNPY2R
SCHEMBL30202166 0.90 NPY4R (0.65) NPY4RNPY1RNPY5RNPY2R
SCHEMBL31188454 0.89 NPY4R (0.70) NPY4RNPY1RNPY5RNPY2R
SCHEMBL30565143 0.89 NPY4R (0.70) NPY4RNPY1RNPY5RNPY2R
SCHEMBL31256973 0.89 NPY4R (0.67) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116589529-A Novel anti-novel coronavirus blocking peptide and application thereof 南阳师范学院 2023-08-15 — — CN disclosed
CN-116589529-A Novel anti-novel coronavirus blocking peptide and application thereof 南阳师范学院 2023-08-15 — — CN disclosed
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