SCHEMBL9845765

SCHEMBL9845765

CC(Cc1cccc(OCc2ccccc2)c1)CN1CC(C)OC(C)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EBP Q15125 1/20 0.51
SIGMAR1 Q99720 1/20 0.51
ADORA3 P0DMS8 1/20 0.48
CHRM1 P11229 1/20 0.48
DRD3 P35462 1/20 0.48
KCNH2 Q12809 1/20 0.48
MAPK1 P28482 2/20 0.44
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
LMNA P02545 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAOB P27338 1/20 0.43
GRM2 Q14416 1/20 0.42
BCHE P06276 1/20 0.42
KDM4E B2RXH2 3/20 0.42

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
SCHEMBL9810846 0.88 EBP (0.53) EBPSIGMAR1ADORA3CHRM1DRD3
SCHEMBL9810850 0.88 EBP (0.53) EBPSIGMAR1ADORA3CHRM1DRD3
SCHEMBL9164585 0.87 EBP (0.52) EBPSIGMAR1ADORA3CHRM1DRD3
SCHEMBL9810872 0.86 EBP (0.51) EBPSIGMAR1ADORA3CHRM1DRD3
SCHEMBL9164655 0.85 EBP (0.50) EBPSIGMAR1ADORA3CHRM1DRD3
SCHEMBL9162645 0.83 EBP (0.47) EBPSIGMAR1ADORA3CHRM1DRD3
SCHEMBL14146050 0.83 EBP (0.70) EBPSIGMAR1ADORA3CHRM1DRD3
SCHEMBL4454622 0.83 EBP (0.70) EBPSIGMAR1ADORA3CHRM1DRD3
SCHEMBL11927701 0.83 EBP (0.70) EBPSIGMAR1ADORA3CHRM1DRD3
SCHEMBL11927700 0.83 EBP (0.70) EBPSIGMAR1ADORA3CHRM1DRD3

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-0405440-A1 Microbicides CIBA-GEIGY AG (CH) 1991-01-02 EP disclosed