SCHEMBL8558418

SCHEMBL8558418

NNC(N)CCCCCCCN1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.56
MAPT P10636 3/20 0.41
SIGMAR1 Q99720 4/20 0.39
RAD52 P43351 1/20 0.37
CYP1A2 P05177 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 2/20 0.36
ALOX15 P16050 1/20 0.36
CXCR4 P61073 1/20 0.35

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
SCHEMBL8556859 0.98 HRH3 (0.52) HRH3MAPTSIGMAR1RAD52CYP1A2
SCHEMBL8557810 0.82 KEAP1 (0.48) SIGMAR1SMN1; SMN2ALDH1A1
SCHEMBL8555711 0.82 KEAP1 (0.48) SIGMAR1SMN1; SMN2ALDH1A1
SCHEMBL8557644 0.82 KEAP1 (0.48) SIGMAR1SMN1; SMN2ALDH1A1
SCHEMBL8558962 0.80 KEAP1 (0.50) SIGMAR1SMN1; SMN2ALDH1A1
SCHEMBL11036023 0.75 HRH3 (0.56) HRH3MAPTSIGMAR1CYP1A2MAPK1
SCHEMBL9371058 0.74 HRH3 (1.00) HRH3MAPTSIGMAR1CYP1A2MAPK1
SCHEMBL3156252 0.74 HRH3 (1.00) HRH3MAPTSIGMAR1CYP1A2MAPK1
SCHEMBL9126300 0.74 HRH3 (1.00) HRH3MAPTSIGMAR1CYP1A2MAPK1
SCHEMBL15933346 0.74 HRH3 (1.00) HRH3MAPTSIGMAR1CYP1A2MAPK1

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