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SCHEMBL30646303

SCHEMBL30646303

CSCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCC(N)=O)C(C)C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NPY2R P49146 8/20 0.59
▸ NPY4R P50391 8/20 0.59
▸ NPY5R Q15761 8/20 0.59
▸ NPY1R P25929 6/20 0.59
▸ TFPI P10646 5/20 0.58
▸ KDM1A O60341 3/20 0.58
▸ MAOB P27338 1/20 0.57
▸ KDM5A P29375 1/20 0.57
▸ KDM1B Q8NB78 1/20 0.57

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
SCHEMBL29416149 0.99 NPY2R (0.59) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30804659 0.94 NPY2R (0.59) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL31182858 0.90 NPY2R (0.61) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL31182747 0.90 CALCR (0.61) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL29502837 0.90 NPY2R (0.59) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL31743442 0.90 NPY2R (0.60) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30804666 0.89 NPY2R (0.64) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30804652 0.89 KDM1A (0.60) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL29949686 0.89 NPY2R (0.57) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL29461492 0.89 NPY2R (0.64) NPY2RNPY4RNPY5RNPY1RTFPI

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
EP-4275688-A2 METHOD OF AMELIORATING OR PREVENTING THE WORSENING OR THE PROGRESSION OF SYMPTOMS OF BPH Nymox Corporation (BS) 2023-11-15 — — EP disclosed
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