SCHEMBL17552003

SCHEMBL17552003

CC1COC(C2=N[C@H](C)CO2)=N1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
MAPT P10636 2/20 0.41
NPC1 O15118 1/20 0.31
GAA P10253 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
SCHEMBL2742839 1.00 ADRA2A (0.42) ADRA2AADRA2BMAPTNPC1GAA
SCHEMBL17551978 1.00 ADRA2A (0.42) ADRA2AADRA2BMAPTNPC1GAA
SCHEMBL381475 0.83 MEN1 (0.46) MAPTNPC1
SCHEMBL11254435 0.82 MAPT (0.34) ADRA2AADRA2BMAPT
SCHEMBL2119357 0.79 MAPT (0.55) ADRA2AADRA2BMAPTNPC1GAA
SCHEMBL2044082 0.78 MAPT (0.54) ADRA2AADRA2BMAPTNPC1GAA
SCHEMBL7386839 0.78 MAPT (0.47) MAPTNPC1
SCHEMBL5176371 0.76 KDM4E (0.44) ADRA2AADRA2BMAPTNPC1GAA
SCHEMBL14154741 0.76 KDM4E (0.44) ADRA2AADRA2BMAPTNPC1GAA
SCHEMBL12731994 0.76 MAPT (0.51) MAPTNPC1

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
EP-1423195-B1 HEXACOORDINATED RUTHENIUM OR OSMIUM METAL CARBENE METATHESIS CATALYSTS CALIFORNIA INST OF TECHN (US) 2016-03-02 EP disclosed