SCHEMBL8556859

SCHEMBL8556859

NNC(N)CCCCCCCN1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.52
MAPT P10636 3/20 0.42
SIGMAR1 Q99720 4/20 0.37
CXCR4 P61073 1/20 0.36
RAD52 P43351 1/20 0.35
CARM1 Q86X55 1/20 0.33
PRMT6 Q96LA8 1/20 0.33
PRMT8 Q9NR22 1/20 0.33
CYP1A2 P05177 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL8558418 0.98 HRH3 (0.56) HRH3MAPTSIGMAR1CXCR4RAD52
SCHEMBL8557644 0.84 KEAP1 (0.48) SIGMAR1SMN1; SMN2LMNAALDH1A1
SCHEMBL8557810 0.84 KEAP1 (0.48) SIGMAR1SMN1; SMN2LMNAALDH1A1
SCHEMBL8557309 0.84 KEAP1 (0.48) SIGMAR1SMN1; SMN2LMNAALDH1A1
SCHEMBL8555711 0.84 KEAP1 (0.48) SIGMAR1SMN1; SMN2LMNAALDH1A1
SCHEMBL8558962 0.81 KEAP1 (0.50) SIGMAR1SMN1; SMN2LMNAALDH1A1
SCHEMBL8557174 0.76 KEAP1 (0.52) HRH3SIGMAR1CYP1A2MAPK1SMN1; SMN2
SCHEMBL1882477 0.73 HRH3 (0.93) HRH3MAPTSIGMAR1CXCR4CARM1
SCHEMBL15462284 0.73 HRH3 (0.93) HRH3MAPTSIGMAR1CXCR4CARM1
SCHEMBL15762056 0.73 HRH3 (0.93) HRH3MAPTSIGMAR1CXCR4CARM1

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-0575954-B1 Aminoalkylcarbamic esters of eseroline suitable for use as cholinesterase acitivity inhibitors and relative preparation process MEDIOLANUM FARMACEUTICI SRL (IT) 1998-09-02 EP disclosed