SCHEMBL8556087

SCHEMBL8556087

O=C1c2ccccc2C(=O)N1CCCC1CNCCO1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 11/20 0.48
SLC6A3 Q01959 7/20 0.48
SLC6A4 P31645 7/20 0.48
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
LMNA P02545 1/20 0.46
TDP1 Q9NUW8 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MIF P14174 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL8555421 0.96 SLC6A2 (0.47) SLC6A2SLC6A3SLC6A4CYP1A2CYP2C9
SCHEMBL8559087 0.95 TDP1 (0.48) SLC6A2SLC6A3SLC6A4CYP1A2CYP2C9
SCHEMBL8559698 0.95 TDP1 (0.48) SLC6A2SLC6A3SLC6A4CYP1A2CYP2C9
SCHEMBL8558048 0.95 TDP1 (0.48) SLC6A2SLC6A3SLC6A4CYP1A2CYP2C9
SCHEMBL8554688 0.95 TDP1 (0.48) SLC6A2SLC6A3SLC6A4CYP1A2CYP2C9
SCHEMBL8559794 0.95 TDP1 (0.48) SLC6A2SLC6A3SLC6A4CYP1A2CYP2C9
SCHEMBL8557616 0.94 SLC6A2 (0.44) SLC6A2SLC6A3SLC6A4CYP1A2CYP2C9
SCHEMBL8556223 0.92 SLC6A2 (0.53) SLC6A2SLC6A3SLC6A4CYP1A2CYP2C9
Hydrochloric Acid SCHEMBL27657033 0.91 SLC6A2 (0.52) SLC6A2SLC6A3SLC6A4CYP1A2CYP2C9
SCHEMBL8559522 0.91 SLC6A2 (0.43) SLC6A2SLC6A3SLC6A4CYP1A2CYP2C9

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