SCHEMBL8967176

SCHEMBL8967176

CC(C)OCCCCCCCCCN1CCCCC1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 14/20 0.58
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
KCNH2 Q12809 1/20 0.44
HRH4 Q9H3N8 1/20 0.44
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL8967569 0.98 HRH3 (0.54) HRH3MEN1KMT2AATML3MBTL1
SCHEMBL10100371 0.96 HRH3 (0.50) HRH3MEN1KMT2AATML3MBTL1
SCHEMBL8967124 0.92 HRH3 (0.50) HRH3MEN1KMT2AKCNH2L3MBTL1
SCHEMBL9917380 0.92 HRH3 (0.50) HRH3MEN1KMT2AKCNH2L3MBTL1
SCHEMBL9917280 0.90 MEN1 (0.50) HRH3MEN1KMT2AL3MBTL1
SCHEMBL22509507 0.86 MEN1 (0.46) HRH3MEN1KMT2AL3MBTL1
SCHEMBL20328700 0.85 HRH3 (0.44) HRH3MEN1KMT2AKCNH2
SCHEMBL20328709 0.85 HRH3 (0.47) HRH3MEN1KMT2AKCNH2
SCHEMBL29325698 0.85 ALDH1A1 (0.46) HRH3MEN1KMT2A
SCHEMBL22520687 0.85 ALDH1A1 (0.46) HRH3MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5348964-A Anticholesterol agents or fungicides MERRELL DOW PHARMACEUTICALS INC. (US) 1994-09-20 US claimed
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