SCHEMBL20525322

SCHEMBL20525322

CC(C)(O)CN1CCC(c2cnc3c(ccn3Cc3ccc(C(N)=O)c(O)c3)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.35
DGAT1 O75907 1/20 0.34
TLR9 Q9NR96 4/20 0.34
TLR8 Q9NR97 4/20 0.34
TLR7 Q9NYK1 4/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
CCR5 P51681 1/20 0.33
GLO1 Q04760 1/20 0.33
FGFR1 P11362 2/20 0.33
SYK P43405 1/20 0.33
WNT1 P04628 1/20 0.33
GSK3B P49841 1/20 0.33
DYRK1A Q13627 1/20 0.33
PKMYT1 Q99640 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
SCHEMBL20525400 0.87 PARP1 (0.41) EGLN1CNR1CNR2CCR5
SCHEMBL20525358 0.86 EGLN1 (0.42) EGLN1CNR1CNR2CCR5SYK
SCHEMBL20525469 0.86 PIK3CA (0.42) EGLN1
SCHEMBL20525424 0.86 EGLN1 (0.38) EGLN1TLR9TLR8TLR7CNR1
SCHEMBL20525317 0.86 EGLN1 (0.39) EGLN1TLR9TLR8TLR7CNR1
SCHEMBL20525438 0.85 DRD2 (0.42) EGLN1CCR5SYK
SCHEMBL20525432 0.85 CYP11B1 (0.38) GLO1FGFR1SYK
SCHEMBL20525454 0.85 SYK (0.42) EGLN1FGFR1SYK
SCHEMBL20525422 0.85 TLR9 (0.34) TLR9TLR8TLR7SYKWNT1
SCHEMBL20525339 0.85 PARP1 (0.41) EGLN1GLO1

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-3080125-B1 NOVEL AZAINDOLE DERIVATIVES AS SELECTIVE HISTONE DEACETYLASE (HDAC) INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP (KR) 2018-10-10 EP disclosed