SCHEMBL9167737

SCHEMBL9167737

CC(Cc1cccc(OC2CCCC2)c1)CN1CC(C)OC(C)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EBP Q15125 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
ADORA3 P0DMS8 1/20 0.47
CHRM1 P11229 1/20 0.47
DRD3 P35462 1/20 0.47
KCNH2 Q12809 1/20 0.47
PDE4D Q08499 4/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
MAPK1 P28482 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
GRM2 Q14416 1/20 0.37
ACACB O00763 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35

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
SCHEMBL9162645 0.84 EBP (0.47) EBPSIGMAR1ADORA3CHRM1DRD3
SCHEMBL9810850 0.83 EBP (0.53) EBPSIGMAR1ADORA3CHRM1DRD3
SCHEMBL9810846 0.83 EBP (0.53) EBPSIGMAR1ADORA3CHRM1DRD3
SCHEMBL9164655 0.82 EBP (0.50) EBPSIGMAR1ADORA3CHRM1DRD3
SCHEMBL9164585 0.82 EBP (0.52) EBPSIGMAR1ADORA3CHRM1DRD3
SCHEMBL9810872 0.81 EBP (0.51) EBPSIGMAR1ADORA3CHRM1DRD3
SCHEMBL9845765 0.81 EBP (0.51) EBPSIGMAR1ADORA3CHRM1DRD3
SCHEMBL9810867 0.77 EBP (0.57) EBPSIGMAR1ADORA3CHRM1DRD3
SCHEMBL11927701 0.76 EBP (0.70) EBPSIGMAR1ADORA3CHRM1DRD3
SCHEMBL14146050 0.76 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5378707-A Applying to Erysiphe and/or Helminthosporium; agriculture MINESTERO DELL' UNIVERSITA 'E DELLA RICERCA SCIENTIFICA E TECHNOLOGICA (IT) 1995-01-03 US claimed
EP-0444706-A2 Aryl-propyl-amines having antifungal activity MINISTERO DELL' UNIVERSITA' E DELLA RICERCA SCIENTIFICA E TECNOLOGICA (IT) 1991-09-04 EP claimed
US-5378707-A Applying to Erysiphe and/or Helminthosporium; agriculture MINESTERO DELL' UNIVERSITA 'E DELLA RICERCA SCIENTIFICA E TECHNOLOGICA (IT) 1995-01-03 US disclosed
EP-0444706-A2 Aryl-propyl-amines having antifungal activity MINISTERO DELL' UNIVERSITA' E DELLA RICERCA SCIENTIFICA E TECNOLOGICA (IT) 1991-09-04 EP disclosed