SCHEMBL7977073

SCHEMBL7977073

COc1c2c(c(OC)c(OC)c1OC)CCC(CCOc1ccc(Cl)cc1)CC2

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.44
NFE2L2 Q16236 1/20 0.42
HRH3 Q9Y5N1 7/20 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
SCHEMBL7972863 0.84 HRH3 (0.46) NFE2L2HRH3
SCHEMBL7972868 0.84 HRH3 (0.41) NFE2L2HRH3
SCHEMBL7973158 0.82 MEN1 (0.46)
SCHEMBL7974462 0.78 MAPT (0.47) HRH3
SCHEMBL7961502 0.77 MAOB (0.40) SIGMAR1NFE2L2HRH3
SCHEMBL7971371 0.77 HRH3 (0.44) SIGMAR1HRH3
SCHEMBL30674540 0.76 NFE2L2 (0.70) NFE2L2HRH3
SCHEMBL16838748 0.73 NFE2L2 (0.56) NFE2L2
SCHEMBL4326032 0.73 NPY1R (0.50) SIGMAR1NFE2L2
SCHEMBL7961186 0.73 HTR1A (0.43)

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
US-6326369-B1 ALZHEIMER'S DISEASE TAKEDA CHEMICALS INDUSTRIES, LTD. (JP) 2001-12-04 US disclosed