SCHEMBL8967439

SCHEMBL8967439

CC(C)CCS(=O)(=O)CCCCCN1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.48
MAPT P10636 2/20 0.37
RAD52 P43351 1/20 0.37
CYP1A2 P05177 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
FPR3 P25089 1/20 0.36
FPR2 P25090 1/20 0.36
ALDH1A1 P00352 2/20 0.36
ALOX15 P16050 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
KCNH2 Q12809 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HRH1 P35367 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
SCHEMBL8967527 0.93 HRH3 (0.42) HRH3MAPTCYP1A2MAPK1SMN1; SMN2
SCHEMBL8967437 0.79 HRH3 (0.54) HRH3MAPTCYP1A2MAPK1SMN1; SMN2
SCHEMBL10778023 0.79 HRH3 (0.65) HRH3MAPTCYP1A2MAPK1SMN1; SMN2
SCHEMBL7866253 0.79 HRH3 (0.65) HRH3MAPTCYP1A2MAPK1SMN1; SMN2
SCHEMBL6246899 0.79 HRH3 (0.65) HRH3MAPTCYP1A2MAPK1SMN1; SMN2
SCHEMBL38662815 0.77 HRH3 (0.61) HRH3MAPTFPR3FPR2SIGMAR1
SCHEMBL441058 0.77 HRH3 (0.61) HRH3MAPTCYP1A2MAPK1SMN1; SMN2
SCHEMBL21016238 0.77 HRH3 (0.61) HRH3MAPTFPR3FPR2SIGMAR1
Bromide SCHEMBL15941761 0.75 HRH3 (0.58) HRH3MAPTFPR3FPR2SIGMAR1
SCHEMBL8967588 0.75 CA2 (0.44) HRH3ALDH1A1

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