SCHEMBL7974660

SCHEMBL7974660

COc1c2c(c(OC)c(OC)c1OC)CCC(CCOc1cccnc1)CC2

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 8/20 0.46
CHRNA4 P43681 8/20 0.46
CHRNA3 P32297 3/20 0.42
CHRNA7 P36544 3/20 0.42
CHRNA1 P02708 2/20 0.42
CHRNB1 P11230 2/20 0.42
CHRNB4 P30926 2/20 0.42
CHRNG P07510 1/20 0.42
CHRND Q07001 1/20 0.42
CHRNB3 Q05901 1/20 0.41
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41

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
SCHEMBL7974340 0.81 CHRNB2 (0.44) CHRNB2CHRNA4CHRNA3CHRNA7CHRNA1
SCHEMBL7972863 0.77 HRH3 (0.46) CHRNB2CHRNA4CHRNA3CHRNA7CHRNB4
SCHEMBL7961186 0.77 HTR1A (0.43) DRD2DRD3
SCHEMBL7359992 0.77 LMNA (0.49)
SCHEMBL7977073 0.76 SIGMAR1 (0.44)
SCHEMBL7972868 0.74 HRH3 (0.41)
SCHEMBL7973158 0.72 MEN1 (0.46)
SCHEMBL7972674 0.71 MEN1 (0.49) DRD2
SCHEMBL7974462 0.69 MAPT (0.47)
SCHEMBL8438174 0.69 CHRNB2 (0.78) CHRNB2CHRNA4CHRNA3CHRNA7CHRNA1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6326369-B1 ALZHEIMER'S DISEASE TAKEDA CHEMICALS INDUSTRIES, LTD. (JP) 2001-12-04 US disclosed
EP-0968164-A1 BICYCLIC QUINONE COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 2000-01-05 EP disclosed
WO-1998033758-A1 BICYCLIC QUINONE COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-08-06 WO disclosed