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SCHEMBL19445664

SCHEMBL19445664

COc1ccc(NC(=O)C(CCCNC(=N)N)NC(=O)c2cc(NC(=O)[C@H](CCCNC(=N)N)NC(=O)c3cc(NC(=O)C(N)CCCNC(C)=N)ccc3OC)ccc2OC)cc1C(C)=O

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 9/20 0.41
▸ NPY1R P25929 5/20 0.41
▸ NPY2R P49146 4/20 0.39
▸ NPY5R Q15761 4/20 0.39
▸ AAK1 Q2M2I8 4/20 0.37
▸ TSHR P16473 1/20 0.37
▸ MMP2 P08253 2/20 0.37
▸ KCNB1 Q14721 1/20 0.35
▸ HDAC1 Q13547 1/20 0.34

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
SCHEMBL12444369 0.91 NPY4R (0.42) NPY4RNPY1RNPY2RNPY5RAAK1
SCHEMBL10261740 0.91 NPY4R (0.44) NPY4RNPY1RNPY2RNPY5RAAK1
SCHEMBL10262675 0.91 NPY4R (0.42) NPY4RNPY1RNPY2RNPY5RAAK1
SCHEMBL15277771 0.91 NPY4R (0.42) NPY4RNPY1RNPY2RNPY5RAAK1
SCHEMBL15138938 0.91 NPY4R (0.42) NPY4RNPY1RNPY2RNPY5RAAK1
SCHEMBL16285905 0.91 NPY4R (0.42) NPY4RNPY1RNPY2RNPY5RAAK1
SCHEMBL13973792 0.90 NPY4R (0.41) NPY4RNPY1RNPY2RNPY5RAAK1
SCHEMBL15277754 0.90 NPY4R (0.43) NPY4RNPY1RNPY2RNPY5RAAK1
SCHEMBL19945118 0.90 NPY4R (0.43) NPY4RNPY1RNPY2RNPY5RAAK1
SCHEMBL13815093 0.89 AAK1 (0.43) NPY4RNPY1RAAK1

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-2709619-B1 COMPOUNDS FOR USE IN TREATMENT OF MUCOSITIS CELLCEUTIX CORP (US) 2017-10-11 — — EP disclosed
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