SCHEMBL19445501

SCHEMBL19445501

CNc1ccc(OC)c(C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)c1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 13/20 0.38
▸ NPY1R P25929 9/20 0.38
▸ NPY5R Q15761 8/20 0.38
▸ NPY2R P49146 5/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ TAS1R3 Q7RTX0 1/20 0.36
▸ TAS1R1 Q7RTX1 1/20 0.36
▸ KCNK2 O95069 1/20 0.36
▸ KCNA5 P22460 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ KCNB1 Q14721 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
SCHEMBL17949771 0.88 HTR2A (0.41) NPY4RNPY1RNPY5RNPY2RALDH1A1
SCHEMBL19445675 0.86 ALDH1A1 (0.43) ALDH1A1
SCHEMBL10261740 0.86 NPY4R (0.44) NPY4RNPY1RNPY5RNPY2RKCNB1
SCHEMBL15277771 0.82 NPY4R (0.42) NPY4RNPY1RNPY5RNPY2RKCNB1
SCHEMBL14655196 0.82 LMNA (0.35) NPY4RNPY1RNPY5RNPY2RALDH1A1
SCHEMBL13973705 0.81 NPY4R (0.39) NPY4RNPY1RNPY5RNPY2RKCNA5
SCHEMBL15277770 0.81 MMP2 (0.41) NPY4RNPY1RKCNA5KCNH2KCNB1
SCHEMBL12515508 0.81 ALDH1A1 (0.41) NPY4RNPY1RALDH1A1KCNB1
SCHEMBL13973757 0.81 MMP2 (0.41) NPY4RNPY1RKCNA5KCNH2KCNB1
SCHEMBL10262220 0.81 ALDH1A1 (0.41) NPY4RNPY1RALDH1A1KCNB1

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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