SCHEMBL28830127

SCHEMBL28830127

CCCCCCCCCCCCCCCCNC(C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CPB2 Q96IY4 4/20 0.41
▸ SLC6A5 Q9Y345 1/20 0.37
▸ CPB1 P15086 1/20 0.36
▸ MMP2 P08253 6/20 0.36
▸ MMP1 P03956 3/20 0.36
▸ MMP8 P22894 1/20 0.36
▸ MME P08473 1/20 0.35
▸ ACE P12821 1/20 0.35
▸ CPA1 P15085 1/20 0.35
▸ ACE2 Q9BYF1 1/20 0.35
▸ NOD1 Q9Y239 1/20 0.35
▸ ITGB3 P05106 1/20 0.34
▸ ITGA2B P08514 1/20 0.34
▸ FAAH O00519 2/20 0.33
▸ FOLH1 Q04609 2/20 0.33
▸ TLR2 O60603 1/20 0.33
▸ MMP3 P08254 1/20 0.33

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
SCHEMBL28830126 1.00 CPB2 (0.41) CPB2SLC6A5CPB1MMP2MMP1
SCHEMBL30978072 0.88 CPB2 (0.51) CPB2SLC6A5CPB1NOD1ITGB3
SCHEMBL19138220 0.88 CPB2 (0.51) CPB2SLC6A5CPB1NOD1ITGB3
SCHEMBL38650912 0.88 CPB2 (0.51) CPB2SLC6A5CPB1NOD1ITGB3
SCHEMBL29503862 0.88 CPB2 (0.51) CPB2SLC6A5CPB1NOD1ITGB3
SCHEMBL1667030 0.88 CPB2 (0.51) CPB2SLC6A5CPB1NOD1ITGB3
SCHEMBL1667027 0.88 CPB2 (0.51) CPB2SLC6A5CPB1NOD1ITGB3
SCHEMBL19138219 0.88 CPB2 (0.51) CPB2SLC6A5CPB1NOD1ITGB3
SCHEMBL28032329 0.87 CPB2 (0.50) CPB2SLC6A5CPB1NOD1ITGB3
SCHEMBL28031776 0.87 CPB2 (0.50) CPB2SLC6A5CPB1NOD1ITGB3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105592711-A Feed for lactating ruminants BENEMILK OY 2016-05-18 — — CN claimed
CN-105592711-A Feed for lactating ruminants BENEMILK OY 2016-05-18 — — CN disclosed
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