SCHEMBL6980502

SCHEMBL6980502

CC(C)(C)OC(=O)NCCCCCCC(=O)N1CCC(c2nc(N)nc3ccccc23)CC1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.49
GBA1 P04062 1/20 0.46
TLR7 Q9NYK1 5/20 0.44
TLR8 Q9NR97 1/20 0.44
ACACB O00763 3/20 0.42
ACACA Q13085 3/20 0.42
NR2F2 P24468 1/20 0.41
RAB9A P51151 1/20 0.41
CYP3A4 P08684 1/20 0.41
BRD4 O60885 1/20 0.41

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
SCHEMBL6979493 1.00 SIGMAR1 (0.49) SIGMAR1GBA1TLR7TLR8ACACB
SCHEMBL6979788 1.00 SIGMAR1 (0.49) SIGMAR1GBA1TLR7TLR8ACACB
SCHEMBL6981163 0.82 PARP1 (0.45) SIGMAR1
SCHEMBL6970712 0.82 PARP1 (0.45) SIGMAR1
SCHEMBL6977139 0.82 PARP1 (0.45) SIGMAR1
SCHEMBL6974607 0.78 NAMPT (0.50) TLR7
SCHEMBL6133804 0.77 SIGMAR1 (0.51) SIGMAR1NR2F2RAB9A
SCHEMBL6133267 0.77 KDM4E (0.53) SIGMAR1BRD4
SCHEMBL8395330 0.76 TLR7 (0.40) SIGMAR1GBA1TLR7TLR8ACACB
SCHEMBL8393078 0.76 TLR7 (0.40) SIGMAR1GBA1TLR7TLR8ACACB

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-0892795-B1 PIPERIDINYLPYRAMIDINE DERIVATIVES SUMITOMO PHARMA (JP) 2003-01-08 EP disclosed