SCHEMBL19445810

SCHEMBL19445810

CNc1ccc(OC)c(C(=O)N[C@@H](CCCCN)C(=O)Nc2ccc(OC)c(C(=O)N[C@H](C=O)CCCCN)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KCNB1 Q14721 5/20 0.40
▸ KCNA5 P22460 2/20 0.40
▸ KCNK2 O95069 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ KLKB1 P03952 1/20 0.40
▸ MMP2 P08253 5/20 0.39
▸ TSHR P16473 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ PDF Q9HBH1 1/20 0.36
▸ ERAP2 Q6P179 3/20 0.35
▸ LNPEP Q9UIQ6 1/20 0.35
▸ ERAP1 Q9NZ08 1/20 0.35

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
SCHEMBL19445879 0.92 KCNK3 (0.41) KCNB1KLKB1MMP2TSHRHDAC1
SCHEMBL19445641 0.92 ERAP2 (0.44) KLKB1MMP2ERAP2LNPEPERAP1
SCHEMBL19445603 0.92 KLKB1 (0.39) KCNB1KLKB1MMP2TSHRHDAC1
SCHEMBL19445834 0.90 MMP2 (0.39) KCNB1KLKB1MMP2TSHRHDAC1
SCHEMBL19445695 0.87 SUV39H2 (0.45) KCNB1MMP2ERAP2LNPEPERAP1
SCHEMBL19445595 0.86 SUV39H2 (0.45) KCNB1MMP2ERAP2LNPEPERAP1
SCHEMBL19445611 0.86 NPC1 (0.38) KCNB1KLKB1MMP2TSHRHDAC1
SCHEMBL15317941 0.83 KLKB1 (0.42) KCNB1KCNA5KCNH2KLKB1MMP2
SCHEMBL13962658 0.83 ERAP2 (0.47) KLKB1MMP2ERAP2LNPEPERAP1
SCHEMBL12766953 0.83 ERAP2 (0.47) KLKB1MMP2ERAP2LNPEPERAP1

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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