SCHEMBL19445595

SCHEMBL19445595

COc1ccc(NC(=O)[C@@H](N)CCCCCN)cc1C(=O)N[C@H](C=O)CCCCCN

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SUV39H2 Q9H5I1 2/20 0.45
▸ LTA4H P09960 1/20 0.42
▸ AAK1 Q2M2I8 6/20 0.41
▸ ERAP2 Q6P179 4/20 0.41
▸ LNPEP Q9UIQ6 2/20 0.41
▸ TERT O14746 3/20 0.40
▸ ERAP1 Q9NZ08 2/20 0.40
▸ KCNB1 Q14721 1/20 0.37
▸ MMP2 P08253 1/20 0.37
▸ MMP9 P14780 1/20 0.37
▸ SPHK1 Q9NYA1 1/20 0.37
▸ CHEK1 O14757 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
SCHEMBL19445695 0.99 SUV39H2 (0.45) SUV39H2LTA4HAAK1ERAP2LNPEP
SCHEMBL19445641 0.94 ERAP2 (0.44) SUV39H2LTA4HAAK1ERAP2LNPEP
SCHEMBL19445810 0.86 KCNB1 (0.40) ERAP2LNPEPERAP1KCNB1MMP2
SCHEMBL19445603 0.85 KLKB1 (0.39) ERAP2LNPEPERAP1KCNB1MMP2
SCHEMBL19445879 0.85 KCNK3 (0.41) KCNB1MMP2
SCHEMBL15317940 0.84 ERAP2 (0.48) SUV39H2LTA4HAAK1ERAP2LNPEP
SCHEMBL10261754 0.84 ERAP2 (0.46) SUV39H2LTA4HAAK1ERAP2LNPEP
SCHEMBL19445834 0.84 MMP2 (0.39) SUV39H2KCNB1MMP2
SCHEMBL13962658 0.83 ERAP2 (0.47) SUV39H2LTA4HAAK1ERAP2LNPEP
SCHEMBL12766953 0.83 ERAP2 (0.47) SUV39H2LTA4HAAK1ERAP2LNPEP

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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