SCHEMBL28030268

SCHEMBL28030268

CC1OCCNC1C1CNCCO1

nearest known ligand 0.30

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.30
ADRA1A P35348 1/20 0.30
HTR2B P41595 1/20 0.30
SLC6A3 Q01959 1/20 0.30

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
SCHEMBL21276777 0.78 SLC6A2 (0.31) SLC6A2ADRA1AHTR2BSLC6A3
SCHEMBL18950742 0.77 CHRM2 (0.31) SLC6A2ADRA1AHTR2BSLC6A3
SCHEMBL27925518 0.74
SCHEMBL11405642 0.73 DRD2 (0.34) SLC6A2ADRA1AHTR2BSLC6A3
SCHEMBL28527287 0.71 SLC6A2 (0.33) SLC6A2
SCHEMBL1692034 0.70
SCHEMBL25176293 0.68 DRD2 (0.32) SLC6A2SLC6A3
SCHEMBL16877514 0.66
SCHEMBL16877913 0.66 CCR5 (0.38)
SCHEMBL22652946 0.66

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105247060-A Processing biomass to obtain hydroxycarboxylic acids XYLECO INC 2016-01-13 CN disclosed
CN-105142768-A Processing hydroxycarboxylic acids into polymers XYLECO INC 2015-12-09 CN disclosed