SCHEMBL6347276

SCHEMBL6347276

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

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.43
HSD17B10 Q99714 1/20 0.42
PDE8B O95263 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 2/20 0.40
CHEK2 O96017 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
OPRD1 P41143 1/20 0.38
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL6348716 0.99 ATM (0.43) ATMHSD17B10PDE8BSMN1; SMN2ALDH1A1
SCHEMBL6345733 0.94 ATM (0.44) ATMHSD17B10PDE8BSMN1; SMN2ALDH1A1
SCHEMBL3815408 0.94 ATM (0.44) ATMHSD17B10PDE8BSMN1; SMN2ALDH1A1
SCHEMBL16012113 0.90 PDE8B (0.46) ATMHSD17B10PDE8BSMN1; SMN2ALDH1A1
SCHEMBL1427736 0.89 HSD17B10 (0.46) ATMHSD17B10PDE8BSMN1; SMN2ALDH1A1
SCHEMBL86228 0.89 HSD17B10 (0.46) ATMHSD17B10PDE8BSMN1; SMN2ALDH1A1
SCHEMBL1061613 0.89 HSD17B10 (0.46) ATMHSD17B10PDE8BSMN1; SMN2ALDH1A1
SCHEMBL29036991 0.88 ATM (0.48) ATMHSD17B10PDE8BSMN1; SMN2ALDH1A1
SCHEMBL6338610 0.88 ATM (0.43) ATMHSD17B10PDE8BSMN1; SMN2ALDH1A1
SCHEMBL31072006 0.85 ATM (0.42) 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 2 patents. 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
EP-1056733-B1 HISTAMINE H3 RECEPTOR LIGANDS BLACK JAMES FOUNDATION (GB) 2004-01-07 EP disclosed