SCHEMBL6345733

SCHEMBL6345733

CC(C)(C)OC(=O)N1CCC[C@@H]1CCCN

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.44
HSD17B10 Q99714 1/20 0.44
PDE8B O95263 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 2/20 0.41
CHEK2 O96017 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
OPRD1 P41143 1/20 0.39
NPC1 O15118 1/20 0.39
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39

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
SCHEMBL3815408 1.00 ATM (0.44) ATMHSD17B10PDE8BSMN1; SMN2ALDH1A1
SCHEMBL16012113 0.96 PDE8B (0.46) ATMHSD17B10PDE8BSMN1; SMN2ALDH1A1
SCHEMBL6348716 0.96 ATM (0.43) ATMHSD17B10PDE8BSMN1; SMN2ALDH1A1
SCHEMBL6347276 0.94 ATM (0.43) ATMHSD17B10PDE8BSMN1; SMN2ALDH1A1
SCHEMBL86228 0.91 HSD17B10 (0.46) ATMHSD17B10PDE8BSMN1; SMN2ALDH1A1
SCHEMBL1427736 0.91 HSD17B10 (0.46) ATMHSD17B10PDE8BSMN1; SMN2ALDH1A1
SCHEMBL1061613 0.91 HSD17B10 (0.46) ATMHSD17B10PDE8BSMN1; SMN2ALDH1A1
SCHEMBL23015233 0.87 PDE8B (0.47) ATMHSD17B10PDE8BSMN1; SMN2ALDH1A1
SCHEMBL6337357 0.87 HSD17B10 (0.45) ATMHSD17B10PDE8BSMN1; SMN2ALDH1A1
SCHEMBL18849728 0.87 ATM (0.50) ATMHSD17B10PDE8BSMN1; SMN2ALDH1A1

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
US-6878736-B1 Histamine H3 receptor ligands JAMES BLACK FOUNDATION LIMITED (GB) 2005-04-12 US disclosed