SCHEMBL21701103

SCHEMBL21701103

CCOC1OC(N(C)C)c2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.33
RET P07949 1/20 0.33
THRB P10828 1/20 0.31
MAPK1 P28482 1/20 0.31
HTR2A P28223 11/20 0.31
HTR2C P28335 11/20 0.31
HRH1 P35367 9/20 0.31
ADRA2A P08913 1/20 0.31
DRD2 P14416 1/20 0.31
ADRA2C P18825 1/20 0.31
DRD1 P21728 1/20 0.31
HTR7 P34969 1/20 0.31
DRD3 P35462 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
SCHEMBL5151902 0.83 THRB (0.36) RETTHRBMAPK1HTR2AHTR2C
SCHEMBL21701193 0.80 GPR3 (0.36) GPR3
SCHEMBL18816777 0.70 GPR3 (0.40) GPR3
SCHEMBL18816812 0.70 GPR3 (0.40) GPR3
SCHEMBL14364126 0.66 TSHR (0.42) MAPK1
SCHEMBL13302911 0.63 POLB (0.45) THRBMAPK1
SCHEMBL30408659 0.63 POLB (0.45) THRBMAPK1
SCHEMBL29309181 0.63 ALDH1A1 (0.41) RETHTR2CADRA2AADRA2C
SCHEMBL10616663 0.61 MAPT (0.43) THRBHTR2ADRD2
SCHEMBL14364127 0.61 HTT (0.35) RETMAPK1HTR2C

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-2020033015-A2 TRANSIENT POLYMER FORMULATIONS, ARTICLES THEREOF, AND METHODS OF MAKING AND USING SAME GEORGIA TECH RESEARCH CORPORATION (US) 2020-02-13 WO disclosed