SCHEMBL6512285

SCHEMBL6512285

[O]CCOC([O])c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 4/20 0.37
CHRM1 P11229 4/20 0.37
SCN1A P35498 3/20 0.37
SCN2A Q99250 3/20 0.37
SCN3A Q9NY46 3/20 0.37
HTR2A P28223 3/20 0.37
CYP2D6 P10635 3/20 0.37
CHRM4 P08173 3/20 0.37
CHRM3 P20309 3/20 0.37
LMNA P02545 2/20 0.37
ADRA2A P08913 2/20 0.37
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
OPRM1 P35372 2/20 0.37
DRD3 P35462 2/20 0.37
SLC6A3 Q01959 2/20 0.37
HTT P42858 2/20 0.37
CYP1A2 P05177 2/20 0.37
ADRA1A P35348 2/20 0.37
CHRM5 P08912 1/20 0.37

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
SCHEMBL1040114 0.82 CES2 (0.38) CHRM2CHRM1SCN1ASCN2ASCN3A
SCHEMBL9642930 0.81 LMNA (0.41) CHRM2CHRM1SCN1ASCN2ASCN3A
SCHEMBL4025487 0.81 ALDH1A1 (0.43) CHRM2CHRM1SCN1ASCN2ASCN3A
SCHEMBL7771215 0.79 CA1 (0.44) CYP2D6LMNASLC6A2SLC6A4SLC6A3
SCHEMBL6588121 0.78 LTA4H (0.44) LMNACYP1A2TSHRSMN1; SMN2KDM4E
SCHEMBL97126 0.77 HCAR2 (0.41) CHRM2CHRM1SCN1ASCN2ASCN3A
SCHEMBL1703020 0.76 LMNA (0.47) CHRM2LMNAADRA2ASLC6A3TSHR
SCHEMBL366711 0.76 L3MBTL1 (0.47) CHRM2CHRM1SCN1ASCN2ASCN3A
SCHEMBL7053897 0.76 TSHR (0.39) CHRM2CHRM1SCN1ASCN2ASCN3A
SCHEMBL7662943 0.76 CES2 (0.37) CHRM2CHRM1SCN1ASCN2ASCN3A

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
WO-2005037803-A1 ORGANIC COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2005-04-28 WO disclosed
EP-1304325-A1 5-(M-CYANOBENZYLAMINO)PYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-04-23 EP disclosed