SCHEMBL19445599

SCHEMBL19445599

CSc1ccc(N)cc1C(=O)N[C@H](C=O)CCCNC(=N)N

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.34
▸ HPGD P15428 2/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ HTR2A P28223 1/20 0.32
▸ NPY4R P50391 6/20 0.31
▸ NPY1R P25929 4/20 0.31
▸ NPY2R P49146 3/20 0.31
▸ NPY5R Q15761 3/20 0.31
▸ CTSK P43235 1/20 0.30

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
SCHEMBL19445855 0.84 HTR2A (0.40) ALOX5HTR2ACTSK
SCHEMBL19445592 0.84 ALOX5 (0.34) ALOX5HPGDKMT2AHSD17B10HTR2A
SCHEMBL3893593 0.73 CAPN1 (0.41) HPGDCTSK
SCHEMBL17572384 0.71 NPY4R (0.41) ALOX5NPY4RNPY1RNPY2RNPY5R
SCHEMBL1330680 0.71 CTSK (0.37) KMT2ANPY4RNPY1RNPY2RNPY5R
SCHEMBL7171302 0.70 PAX8 (0.38) NPY4RNPY1RNPY2RNPY5RCTSK
SCHEMBL7171307 0.70 PAX8 (0.38) NPY4RNPY1RNPY2RNPY5RCTSK
SCHEMBL17949771 0.69 HTR2A (0.41) ALOX5HTR2ANPY4RNPY1RNPY2R
SCHEMBL10262883 0.69 NPY4R (0.41) KMT2ANPY4RNPY1RNPY2RNPY5R
SCHEMBL22341401 0.69 CTSK (0.38) KMT2ANPY4RNPY1RNPY2RNPY5R

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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