SCHEMBL8560109

SCHEMBL8560109

NCCCCCCCCCCCCN1CCOCC1

nearest known ligand 0.83

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.83
SMN1; SMN2 Q16637 1/20 0.83
HPGD P15428 1/20 0.46
DUSP3 P51452 1/20 0.46
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.44
SIGMAR1 Q99720 2/20 0.44
POLB P06746 1/20 0.44
KDM1A O60341 1/20 0.44
LMNA P02545 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42

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
SCHEMBL1703703 1.00 KEAP1 (0.83) KEAP1SMN1; SMN2HPGDDUSP3KDM4E
SCHEMBL5988693 1.00 KEAP1 (0.83) KEAP1SMN1; SMN2HPGDDUSP3KDM4E
SCHEMBL3200530 1.00 KEAP1 (0.83) KEAP1SMN1; SMN2HPGDDUSP3KDM4E
SCHEMBL5903339 1.00 KEAP1 (0.83) KEAP1SMN1; SMN2HPGDDUSP3KDM4E
SCHEMBL179978 0.98 KEAP1 (0.86) KEAP1SMN1; SMN2HPGDDUSP3KDM4E
SCHEMBL19922 0.91 KEAP1 (1.00) KEAP1SMN1; SMN2HPGDDUSP3KDM4E
SCHEMBL13878256 0.90 KEAP1 (0.73) KEAP1SMN1; SMN2HPGDDUSP3KDM4E
Hydrochloric Acid SCHEMBL11880824 0.88 KEAP1 (0.95) KEAP1SMN1; SMN2HPGDDUSP3KDM4E
Hydrochloric Acid SCHEMBL8934456 0.88 KEAP1 (0.95) KEAP1SMN1; SMN2HPGDDUSP3KDM4E
Ammonia Solution, Strong SCHEMBL1579906 0.88 KEAP1 (0.95) KEAP1SMN1; SMN2HPGDDUSP3KDM4E

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 4 patents. 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
US-5424451-A Used as cholinesterase activity inhibitors MEDIOLANUM FARMACEUTICI S.P.A. (IT) 1995-06-13 US disclosed
US-5302593-A Aminoalkylcarbamic esters of eseroline suitable for use as chlorinesterase activity inhibitors MEDIOLANUM FARMACEUTICI S.P.A. (IT) 1994-04-12 US disclosed
EP-0575954-A1 Aminoalkylcarbamic esters of eseroline suitable for use as cholinesterase acitivity inhibitors and relative preparation process MEDIOLANUM FARMACEUTICI S.P.A. (IT) 1993-12-29 EP disclosed