SCHEMBL28208698

SCHEMBL28208698

CCCC1CNCCO1.F[B-](F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 15/20 0.41
SLC6A4 P31645 13/20 0.41
SLC6A3 Q01959 9/20 0.41
HTR2A P28223 3/20 0.41
ADRB2 P07550 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA1A P35348 1/20 0.41
HTR2B P41595 1/20 0.41
ADRA2C P18825 1/20 0.38
EPHX1 P07099 1/20 0.33

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
SCHEMBL302007 0.92
SCHEMBL13575910 0.92
SCHEMBL13575909 0.92
Hydrochloric Acid SCHEMBL8005749 0.90 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3HTR2AADRB2
Water SCHEMBL28101465 0.90 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3HTR2AADRB2
Ammonia Solution, Strong SCHEMBL181626 0.90 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3HTR2AADRB2
Bromide SCHEMBL11217003 0.90 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3HTR2AADRB2
SCHEMBL28100468 0.89 EPHX1 (0.43) SLC6A2SLC6A4SLC6A3HTR2AADRB2
Propylene Oxide SCHEMBL29210764 0.85 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3HTR2AADRB2
Morpholine SCHEMBL22129943 0.85 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3HTR2AADRB2

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
CN-105218688-B A kind of starch flocculant of polyamine cationic polymer modification and preparation method thereof 黄河水利职业技术学院 2018-04-10 CN disclosed