SCHEMBL19445694

SCHEMBL19445694

COc1ccc(NC(=O)[C@@H](CCCNC(=N)N)NC(=O)c2cc(NC(=O)[C@@H](CCCNC(=N)N)NC(=O)c3cc(NC(=O)[C@@H](CCCNC(=N)N)NC(=O)c4cc(NC(=O)[C@H](N)CCCNC(=N)N)ccc4O)ccc3O)ccc2OC)cc1C(=O)NCCCCCN

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 9/20 0.39
▸ NPY1R P25929 6/20 0.39
▸ F2 P00734 2/20 0.38
▸ NPY2R P49146 5/20 0.38
▸ NPY5R Q15761 5/20 0.38
▸ ERAP2 Q6P179 4/20 0.37
▸ LNPEP Q9UIQ6 2/20 0.37
▸ MMP2 P08253 1/20 0.37
▸ ERAP1 Q9NZ08 2/20 0.37
▸ SUV39H2 Q9H5I1 1/20 0.36
▸ EGFR P00533 2/20 0.36
▸ SYK P43405 1/20 0.36
▸ ALOX5 P09917 1/20 0.36
▸ PTGS2 P35354 1/20 0.36

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
SCHEMBL10268071 0.96 NPY4R (0.40) NPY4RNPY1RNPY2RNPY5RERAP2
SCHEMBL19445517 0.93 NPY4R (0.40) NPY4RNPY1RF2NPY2RNPY5R
SCHEMBL10262700 0.91 NPY4R (0.41) NPY4RNPY1RNPY2RNPY5RERAP2
SCHEMBL19945106 0.91 ERAP2 (0.41) NPY4RNPY1RNPY2RNPY5RERAP2
SCHEMBL10262213 0.90 NPY4R (0.42) NPY4RNPY1RNPY2RNPY5RERAP2
SCHEMBL10261836 0.90 NPY4R (0.42) NPY4RNPY1RNPY2RNPY5RERAP2
SCHEMBL10262715 0.90 NPY4R (0.42) NPY4RNPY1RNPY2RNPY5RERAP2
SCHEMBL10263133 0.90 NPY4R (0.42) NPY4RNPY1RNPY2RNPY5RERAP2
SCHEMBL10263161 0.90 NPY4R (0.42) NPY4RNPY1RNPY2RNPY5RERAP2
SCHEMBL10262280 0.90 NPY4R (0.42) NPY4RNPY1RNPY2RNPY5RERAP2

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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