SCHEMBL8763757

SCHEMBL8763757

CC(C)CCC(=N)NCCCCN1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FPR3 P25089 3/20 0.46
FPR2 P25090 3/20 0.46
RAD52 P43351 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40
SIGMAR1 Q99720 4/20 0.39
KDM4E B2RXH2 1/20 0.37
HTR3A P46098 2/20 0.37
CYP1A2 P05177 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL8764666 0.95 SMN1; SMN2 (0.45) FPR3FPR2RAD52SMN1; SMN2TP53
SCHEMBL8971745 0.80 FPR3 (0.36) FPR3FPR2RAD52SMN1; SMN2TP53
Hydrochloric Acid SCHEMBL6584702 0.79 FPR3 (0.52) FPR3FPR2RAD52SMN1; SMN2TP53
Hydrochloric Acid SCHEMBL8972332 0.79 RAD52 (0.37) FPR3FPR2RAD52SMN1; SMN2TP53
SCHEMBL8764645 0.74 HRH3 (0.48) FPR3FPR2RAD52SMN1; SMN2TP53
Hydrochloric Acid SCHEMBL8765083 0.73 HRH3 (0.47) FPR3FPR2RAD52SMN1; SMN2TP53
SCHEMBL27717222 0.73 HRH3 (0.47) RAD52SMN1; SMN2HRH3SIGMAR1KDM4E
SCHEMBL441058 0.73 HRH3 (0.61) FPR3FPR2SMN1; SMN2HRH3SIGMAR1
SCHEMBL9322157 0.72 HRH3 (0.45) FPR3FPR2RAD52SMN1; SMN2TP53
SCHEMBL13202809 0.72 RAD52 (0.61) FPR3FPR2RAD52SMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0420116-B1 Novel substituted alkyl piperidines and their use as inhibitors of cholesterol synthesis MERRELL PHARMA INC (US) 1997-07-30 EP claimed
US-5217979-A Substituted alkyl piperidines MERRELL DOW PHARMACEUTICALS INC. (US) 1993-06-08 US claimed
EP-0420116-A2 Novel substituted alkyl piperidines and their use as inhibitors of cholesterol synthesis MERRELL PHARMACEUTICALS INC. (US) 1991-04-03 EP claimed
EP-0420116-B1 Novel substituted alkyl piperidines and their use as inhibitors of cholesterol synthesis MERRELL PHARMA INC (US) 1997-07-30 EP disclosed
US-5217979-A Substituted alkyl piperidines MERRELL DOW PHARMACEUTICALS INC. (US) 1993-06-08 US disclosed
EP-0420116-A2 Novel substituted alkyl piperidines and their use as inhibitors of cholesterol synthesis MERRELL PHARMACEUTICALS INC. (US) 1991-04-03 EP disclosed