SCHEMBL8967208

SCHEMBL8967208

CCSCCCCN1CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.56
ALDH1A1 P00352 3/20 0.41
TSHR P16473 2/20 0.41
MAPT P10636 1/20 0.41
HRH1 P35367 1/20 0.41
CYP1A2 P05177 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TMEM97 Q5BJF2 2/20 0.37
MAOB P27338 1/20 0.36

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
SCHEMBL20389744 0.94 HRH3 (0.52) HRH3ALDH1A1TSHRMAPTHRH1
SCHEMBL7850426 0.87 HRH3 (0.67) HRH3ALDH1A1TSHRMAPTHRH1
SCHEMBL27528159 0.85 HRH3 (0.71) HRH3ALDH1A1TSHRMAPTCYP1A2
SCHEMBL690245 0.85 ALDH1A1 (0.45) HRH3ALDH1A1TSHRMAPTCYP1A2
SCHEMBL19841298 0.82 ALDH1A1 (0.42) HRH3ALDH1A1TSHRMAPTCYP1A2
Iodide SCHEMBL8913931 0.80 HRH3 (0.52) HRH3
SCHEMBL6678765 0.80 HRH3 (0.62) HRH3ALDH1A1TSHRMAPTHRH1
SCHEMBL22271407 0.80 HRH3 (0.55) HRH3ALDH1A1TSHRMAPTCYP1A2
SCHEMBL27341646 0.79 SIGMAR1 (0.45) HRH3ALDH1A1SIGMAR1
SCHEMBL8966776 0.78 HRH3 (0.43) HRH3ALDH1A1TSHRHRH1CYP1A2

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
EP-0468434-B1 Novel piperidyl ethers and thioethers as inhibitors of cholesterol biosynthesis MERRELL DOW PHARMA (US) 1996-02-28 EP disclosed
US-5348964-A Anticholesterol agents or fungicides MERRELL DOW PHARMACEUTICALS INC. (US) 1994-09-20 US disclosed
CN-1058399-A New piperidine ether and thioether as cholesteral biosynthesis inhibitor MERRELL DOW PHARMA (US) 1992-02-05 CN disclosed
EP-0468434-A1 Novel piperidyl ethers and thioethers as inhibitors of cholesterol biosynthesis MERRELL PHARMACEUTICALS INC. (US) 1992-01-29 EP disclosed