SCHEMBL19445629

SCHEMBL19445629

COc1ccc(NC(=O)[C@@H](CCCNC(=N)N)NC(=O)c2cc(NC(=O)[C@@H](CCCNC(=N)N)NC(=O)c3cc(NC(=O)CCCCN)ccc3OC)ccc2OC)cc1CC(=O)N[C@H](CCCN)C(=O)Nc1ccc(OC)c(C(N)=O)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 5/20 0.37
▸ NPY5R Q15761 5/20 0.37
▸ NPY1R P25929 4/20 0.37
▸ NPY2R P49146 2/20 0.37
▸ HDAC4 P56524 4/20 0.36
▸ HDAC1 Q13547 3/20 0.36
▸ HDAC3 O15379 2/20 0.36
▸ EGFR P00533 1/20 0.36
▸ HDAC7 Q8WUI4 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC10 Q969S8 1/20 0.36
▸ HDAC11 Q96DB2 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ HDAC9 Q9UKV0 1/20 0.36
▸ HDAC5 Q9UQL6 1/20 0.36
▸ ROCK2 O75116 1/20 0.35
▸ MAPK8 P45983 1/20 0.35
▸ MEF2D Q14814 3/20 0.34
▸ MMP2 P08253 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
SCHEMBL19445744 0.95 HDAC3 (0.40) NPY4RNPY5RNPY1RNPY2RHDAC4
SCHEMBL10261876 0.95 HDAC3 (0.40) NPY4RNPY5RNPY1RNPY2RHDAC4
SCHEMBL10263117 0.90 HDAC1 (0.42) NPY4RNPY5RNPY1RNPY2RHDAC4
SCHEMBL10260131 0.88 NPY4R (0.43) NPY4RNPY5RNPY1RNPY2RHDAC4
SCHEMBL10262456 0.88 NPY4R (0.45) NPY4RNPY5RNPY1RNPY2RHDAC4
SCHEMBL19445529 0.87 NPY4R (0.42) NPY4RNPY5RNPY1RNPY2RHDAC4
SCHEMBL19445649 0.86 NPY4R (0.35) NPY4RNPY5RNPY1RNPY2R
SCHEMBL18116730 0.86 NPY4R (0.41) NPY4RNPY5RNPY1RNPY2R
SCHEMBL10260136 0.85 NPY4R (0.41) NPY4RNPY5RNPY1RNPY2RMMP2
SCHEMBL12518297 0.85 NPY4R (0.41) NPY4RNPY5RNPY1RNPY2RMMP2

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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