SCHEMBL8560534

SCHEMBL8560534

CNCCCCCCCCC1CNCCO1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.40
EPHX1 P07099 2/20 0.38
BRD4 O60885 4/20 0.36
SLC6A2 P23975 8/20 0.35
SLC6A3 Q01959 7/20 0.35
SLC6A4 P31645 5/20 0.35
ADRB2 P07550 1/20 0.35
HTR1A P08908 1/20 0.35
HTR2A P28223 1/20 0.35
ADRA1A P35348 1/20 0.35
HTR2B P41595 1/20 0.35
ADRA2C P18825 1/20 0.35
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL7509608 1.00 SIGMAR1 (0.40) SIGMAR1EPHX1BRD4SLC6A2SLC6A3
SCHEMBL4457615 0.86 SLC6A2 (0.39) BRD4SLC6A2SLC6A3SLC6A4ADRB2
Hydrochloric Acid SCHEMBL10511614 0.84 SLC6A2 (0.38) BRD4SLC6A2SLC6A3SLC6A4ADRB2
SCHEMBL11652607 0.84 SLC6A2 (0.40) EPHX1SLC6A2SLC6A3SLC6A4ADRB2
SCHEMBL28142918 0.81 SLC6A2 (0.34) EPHX1BRD4SLC6A2SLC6A3SLC6A4
SCHEMBL4423889 0.81 EPHX1 (0.60) EPHX1SLC6A2SLC6A3SLC6A4ADRB2
SCHEMBL8657970 0.81 EPHX1 (0.60) EPHX1SLC6A2SLC6A3SLC6A4ADRB2
SCHEMBL16652362 0.81 EPHX1 (0.60) EPHX1SLC6A2SLC6A3SLC6A4ADRB2
SCHEMBL17649948 0.81 EPHX1 (0.60) EPHX1SLC6A2SLC6A3SLC6A4ADRB2
SCHEMBL8661751 0.81 EPHX1 (0.60) EPHX1SLC6A2SLC6A3SLC6A4ADRB2

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