SCHEMBL8028205

SCHEMBL8028205

OCCC(c1ccccn1)c1c(O)cccc1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 6/20 0.43
SLC6A4 P31645 6/20 0.43
CHRM2 P08172 5/20 0.43
SCN1A P35498 3/20 0.43
SCN2A Q99250 3/20 0.43
SCN3A Q9NY46 3/20 0.43
SLC6A3 Q01959 5/20 0.42
TSHR P16473 3/20 0.41
ALDH1A1 P00352 4/20 0.40
LMNA P02545 2/20 0.39
KDM4E B2RXH2 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
RAB9A P51151 1/20 0.39
CYP1A2 P05177 1/20 0.39
CHRM1 P11229 4/20 0.38
HRH1 P35367 4/20 0.38
KCNH2 Q12809 4/20 0.38
HRH3 Q9Y5N1 4/20 0.38
ADRA2B P18089 3/20 0.38

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
SCHEMBL8018556 0.83 SLC6A2 (0.43) SLC6A2SLC6A4CHRM2SCN1ASCN2A
SCHEMBL8018549 0.78 CHRM2 (0.42) SLC6A2SLC6A4CHRM2SCN1ASCN2A
SCHEMBL8034145 0.75 SLC6A2 (0.39) SLC6A2SLC6A4CHRM2SCN1ASCN2A
SCHEMBL8018546 0.75 TYR (0.43) SLC6A2SLC6A4CHRM2SCN1ASCN2A
SCHEMBL25447692 0.73 TSHR (0.47) SLC6A2SLC6A4CHRM2SCN1ASCN2A
SCHEMBL20099923 0.73 TSHR (0.47) SLC6A2SLC6A4CHRM2SCN1ASCN2A
SCHEMBL7084236 0.72 SLC6A2 (0.53) SLC6A2SLC6A4CHRM2SCN1ASCN2A
SCHEMBL31374423 0.72 CHRM2 (0.69) SLC6A2SLC6A4CHRM2SCN1ASCN2A
SCHEMBL1856673 0.71 SLC6A2 (0.45) SLC6A2SLC6A4CHRM2SCN1ASCN2A
SCHEMBL8797881 0.70 TSHR (0.50) SLC6A2SLC6A4CHRM2SCN1ASCN2A

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
WO-2000073269-A2 NICOTINE RECEPTOR LIGANDS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2000-12-07 WO disclosed