SCHEMBL19445632

SCHEMBL19445632

COc1ccc(NC(=O)[C@@H](CCCNC(=N)N)NC(=O)c2cc(NC(=O)[C@@H](CCCNC(=N)N)NC(=O)CNC(=O)c3cc(NC(=O)[C@@H](CCCNC(=N)N)NC(=O)c4cc(NC(=O)[C@H](N)CCCNC(=N)N)ccc4OC)ccc3OC)ccc2OC)cc1C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 10/20 0.40
▸ NPY1R P25929 6/20 0.40
▸ NPY2R P49146 5/20 0.38
▸ NPY5R Q15761 5/20 0.38
▸ PSMB11 A5LHX3 1/20 0.37
▸ PSMA7 O14818 1/20 0.37
▸ PSMB1 P20618 1/20 0.37
▸ PSMA1 P25786 1/20 0.37
▸ PSMA2 P25787 1/20 0.37
▸ PSMA3 P25788 1/20 0.37
▸ PSMA4 P25789 1/20 0.37
▸ PSMB8 P28062 1/20 0.37
▸ PSMB9 P28065 1/20 0.37
▸ PSMA5 P28066 1/20 0.37
▸ PSMB4 P28070 1/20 0.37
▸ PSMB6 P28072 1/20 0.37
▸ PSMB5 P28074 1/20 0.37
▸ PSMB10 P40306 1/20 0.37
▸ PSMB3 P49720 1/20 0.37
▸ PSMB2 P49721 1/20 0.37

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 0.95 NPY4R (0.42) NPY4RNPY1RNPY2RNPY5RAAK1
SCHEMBL10262675 0.95 NPY4R (0.42) NPY4RNPY1RNPY2RNPY5RAAK1
SCHEMBL15138938 0.95 NPY4R (0.42) NPY4RNPY1RNPY2RNPY5RAAK1
SCHEMBL16285905 0.95 NPY4R (0.42) NPY4RNPY1RNPY2RNPY5RAAK1
SCHEMBL19945118 0.93 NPY4R (0.43) NPY4RNPY1RNPY2RNPY5RAAK1
SCHEMBL12515466 0.93 KCNB1 (0.40) NPY4RNPY1RNPY2RNPY5RAAK1
SCHEMBL13973694 0.93 NPY4R (0.41) NPY4RNPY1RNPY2RNPY5RAAK1
SCHEMBL10199252 0.93 NPY4R (0.41) NPY4RNPY1RNPY2RNPY5RAAK1
SCHEMBL12514984 0.93 NPY4R (0.41) NPY4RNPY1RNPY2RNPY5RAAK1
SCHEMBL10199161 0.93 NPY4R (0.41) NPY4RNPY1RNPY2RNPY5RAAK1

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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