SCHEMBL8557644

SCHEMBL8557644

NNC(N)CCCCCCCCCCCN1CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
LMNA P02545 2/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 1/20 0.41
DUSP3 P51452 1/20 0.41
GAA P10253 1/20 0.41
ALDH1A1 P00352 2/20 0.38
PAOX Q6QHF9 1/20 0.38
KDM1A O60341 2/20 0.37
POLB P06746 1/20 0.37
SIGMAR1 Q99720 1/20 0.37

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
SCHEMBL8557810 1.00 KEAP1 (0.48) KEAP1SMN1; SMN2LMNAKDM4EHPGD
SCHEMBL8557309 1.00 KEAP1 (0.48) KEAP1SMN1; SMN2LMNAKDM4EHPGD
SCHEMBL8555711 1.00 KEAP1 (0.48) KEAP1SMN1; SMN2LMNAKDM4EHPGD
SCHEMBL8558962 0.98 KEAP1 (0.50) KEAP1SMN1; SMN2LMNAKDM4EHPGD
SCHEMBL8557174 0.93 KEAP1 (0.52) KEAP1SMN1; SMN2LMNAKDM4EHPGD
SCHEMBL8557571 0.85 KEAP1 (0.45) KEAP1SMN1; SMN2LMNAKDM4EHPGD
SCHEMBL8556859 0.84 HRH3 (0.52) SMN1; SMN2LMNAALDH1A1SIGMAR1
SCHEMBL8558418 0.82 HRH3 (0.56) SMN1; SMN2ALDH1A1SIGMAR1
SCHEMBL9740021 0.77 KEAP1 (0.68) KEAP1SMN1; SMN2KDM4EHPGDDUSP3
SCHEMBL9738476 0.77 KEAP1 (0.68) KEAP1SMN1; SMN2KDM4EHPGDDUSP3

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