SCHEMBL5757786

SCHEMBL5757786

CC(C)COC(=O)N1CCN(c2cccc3cc(S(=O)(=O)N4CCc5ccccc54)cnc23)CC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.45
PKM P14618 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
JAK2 O60674 2/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
MCOLN3 Q8TDD5 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HTR2A P28223 3/20 0.43
HTR6 P50406 3/20 0.43
MAPT P10636 1/20 0.42
AKR1C3 P42330 1/20 0.41
AKR1C1 Q04828 1/20 0.41
HTR1A P08908 1/20 0.41
DRD2 P14416 1/20 0.41
HTR7 P34969 1/20 0.41

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
SCHEMBL4698210 0.86 PKM (0.48) LMNAPKMSMN1; SMN2JAK2ALDH1A1
SCHEMBL5820238 0.85 PKM (0.53) LMNAPKMSMN1; SMN2JAK2ALDH1A1
SCHEMBL5757481 0.85 LMNA (0.47) LMNAPKMSMN1; SMN2ALDH1A1MAPK1
SCHEMBL5758622 0.83 HTT (0.44) LMNASMN1; SMN2ALDH1A1MAPK1HTT
SCHEMBL4699249 0.82 HTR6 (0.60) PKMJAK2ALDH1A1MAPK1L3MBTL1
Hydrochloric Acid SCHEMBL4700533 0.81 HTR6 (0.59) PKMJAK2ALDH1A1MAPK1L3MBTL1
SCHEMBL5758760 0.81 HTR2A (0.48) LMNASMN1; SMN2ALDH1A1HTTMEN1
SCHEMBL4386582 0.80 HTR6 (0.67) LMNASMN1; SMN2ALDH1A1MAPK1HTT
SCHEMBL3917828 0.79 MAPT (0.43) LMNASMN1; SMN2ALDH1A1MAPK1HTT
SCHEMBL4702019 0.78 HTR6 (0.67) PKMJAK2ALDH1A1MAPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1660483-A1 8-(1-PIPERAZINYL)-QUINOLINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CNS DISORDERS GLAXO GROUP LIMITED (GB) 2006-05-31 EP disclosed
WO-2005021530-A1 8- (1-PIPERAZINYL)- QUINOLINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CNS DISORDERS GLAXO GROUP LIMITED (GB) 2005-03-10 WO disclosed