SCHEMBL8552813

SCHEMBL8552813

O=C1NC(=O)c2c(CCCCCCCCBr)cccc21.O=C1NC(=O)c2c(CCCCCCCCC3CNCCO3)cccc21

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 15/20 0.33
SLC6A4 P31645 10/20 0.33
SLC6A3 Q01959 8/20 0.33
BRD4 O60885 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
MAPK10 P53779 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ADRB2 P07550 1/20 0.31
HTR1A P08908 1/20 0.31
HTR2A P28223 1/20 0.31
ADRA1A P35348 1/20 0.31
HTR2B P41595 1/20 0.31
ADRA2C P18825 1/20 0.31

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
SCHEMBL8554467 1.00 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3BRD4KDM4E
SCHEMBL8559643 1.00 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3BRD4KDM4E
SCHEMBL8558966 1.00 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3BRD4KDM4E
SCHEMBL8553945 1.00 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3BRD4KDM4E
SCHEMBL8559529 0.99 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3BRD4KDM4E
SCHEMBL8559097 0.95 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3BRD4KDM4E
SCHEMBL8559805 0.95 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3BRD4KDM4E
SCHEMBL8554701 0.95 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3BRD4KDM4E
SCHEMBL8559704 0.95 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3BRD4KDM4E
SCHEMBL8558055 0.95 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3BRD4KDM4E

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