SCHEMBL8966707

SCHEMBL8966707

CC(C)CCSCCCCCN1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.52
MAPT P10636 2/20 0.39
SIGMAR1 Q99720 2/20 0.37
ALDH1A1 P00352 3/20 0.36
TSHR P16473 1/20 0.36
HRH1 P35367 1/20 0.36
FPR3 P25089 1/20 0.34
FPR2 P25090 1/20 0.34
CYP1A2 P05177 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
ALOX15 P16050 1/20 0.34

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
SCHEMBL8966734 0.93 HRH3 (0.45) HRH3MAPTALDH1A1TSHRHRH1
SCHEMBL7850426 0.83 HRH3 (0.67) HRH3MAPTSIGMAR1ALDH1A1TSHR
SCHEMBL10778023 0.81 HRH3 (0.65) HRH3MAPTSIGMAR1ALDH1A1HRH1
SCHEMBL6246899 0.81 HRH3 (0.65) HRH3MAPTSIGMAR1ALDH1A1HRH1
SCHEMBL7866253 0.81 HRH3 (0.65) HRH3MAPTSIGMAR1ALDH1A1HRH1
SCHEMBL441058 0.79 HRH3 (0.61) HRH3MAPTSIGMAR1HRH1FPR3
SCHEMBL21016238 0.79 HRH3 (0.61) HRH3MAPTSIGMAR1HRH1FPR3
SCHEMBL38662815 0.79 HRH3 (0.61) HRH3MAPTSIGMAR1HRH1FPR3
Bromide SCHEMBL15941761 0.77 HRH3 (0.58) HRH3MAPTSIGMAR1HRH1FPR3
SCHEMBL439740 0.77 HRH3 (0.56) HRH3MAPTSIGMAR1ALDH1A1HRH1

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
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
EP-0468434-A1 Novel piperidyl ethers and thioethers as inhibitors of cholesterol biosynthesis MERRELL PHARMACEUTICALS INC. (US) 1992-01-29 EP disclosed