SCHEMBL28042455

SCHEMBL28042455

CC(C)(C)c1cc(CC2CNCCO2)c(O)c(CC2CNCCO2)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 4/20 0.40
SLC6A2 P23975 10/20 0.36
CYP2D6 P10635 4/20 0.36
CYP1A2 P05177 3/20 0.36
CYP2C9 P11712 3/20 0.36
HTR1A P08908 2/20 0.36
ADRB2 P07550 1/20 0.36
HTR2A P28223 1/20 0.36
SLC6A4 P31645 1/20 0.36
ADRA1A P35348 1/20 0.36
HTR2B P41595 1/20 0.36
SLC6A3 Q01959 1/20 0.36
ADRA2C P18825 1/20 0.36
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
TSHR P16473 2/20 0.34
HSD17B10 Q99714 1/20 0.33
HIF1A Q16665 1/20 0.33
SSTR4 P31391 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
SCHEMBL10999893 0.92 ALDH1A1 (0.41) CYP2C19SLC6A2CYP2D6CYP1A2CYP2C9
SCHEMBL28032639 0.79 GRIN1 (0.38) SLC6A3
Hydrochloric Acid SCHEMBL28032640 0.79 GRIN1 (0.37) SLC6A3
SCHEMBL10798922 0.78 ALDH1A1 (0.40) CYP2C19SLC6A2CYP2D6CYP1A2CYP2C9
SCHEMBL1552812 0.75 HTR2A (0.42) SLC6A2HTR1AADRB2HTR2ASLC6A4
SCHEMBL1552734 0.75 CYP1A2 (0.39) CYP2C19SLC6A2CYP2D6CYP1A2HTR1A
SCHEMBL1552735 0.75 CYP1A2 (0.39) CYP2C19SLC6A2CYP2D6CYP1A2HTR1A
SCHEMBL11427779 0.71 ADRA2C (0.53) SLC6A2HTR1AADRB2HTR2ASLC6A4
SCHEMBL3198823 0.71 ADRB2 (0.34) SLC6A2HTR1AADRB2HTR2ASLC6A4
SCHEMBL1552722 0.71 SLC6A2 (0.46) SLC6A2HTR1AADRB2HTR2ASLC6A4

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-102459284-B For the catalyst system of the forever active ring-opening polymerization of cyclic ester and cyclic carbonate TOTAL RESEARCH & TECHNOLOGY FELUY (BE) 2015-11-25 CN disclosed