SCHEMBL7971379

SCHEMBL7971379

COc1c2c(c(OC)c(OC)c1OC)CC(CCCOc1ccc(CN(C)C)cc1)C2

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.51
ACHE P22303 1/20 0.37
TSHR P16473 1/20 0.37
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 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
Hydrochloric Acid SCHEMBL7972774 0.99 HRH3 (0.50) HRH3ACHETSHRKEAP1NFE2L2
Hydrochloric Acid SCHEMBL7974569 0.81 HRH3 (0.47) HRH3ACHETSHR
SCHEMBL7971292 0.81 HRH3 (0.41) HRH3
SCHEMBL7971231 0.79 GPR119 (0.53)
SCHEMBL7961401 0.77 TP53 (0.49) TSHR
SCHEMBL7971371 0.76 HRH3 (0.44) HRH3
SCHEMBL7961494 0.76 MAPT (0.56)
SCHEMBL7971192 0.76 GPR119 (0.57) ACHE
SCHEMBL7974351 0.73 TP53 (0.51) TSHR
SCHEMBL7971561 0.73 SMN1; SMN2 (0.54) HRH3TSHR

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