SCHEMBL5757481

SCHEMBL5757481

CC(C)COC(=O)N1CCN(c2cccc3cc(S(=O)(=O)N4CCCCC4)cnc23)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.47
MAPT P10636 3/20 0.47
KMT2A Q03164 3/20 0.47
MAPK1 P28482 1/20 0.47
HTR2A P28223 3/20 0.43
HTR6 P50406 3/20 0.43
HTR1A P08908 1/20 0.43
DRD2 P14416 1/20 0.43
HTR7 P34969 1/20 0.43
ALDH1A1 P00352 6/20 0.43
GAA P10253 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
HSD17B10 Q99714 1/20 0.43
HTT P42858 2/20 0.41
RECQL P46063 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
PKM P14618 1/20 0.40
GPR119 Q8TDV5 1/20 0.40
TSHR P16473 2/20 0.40
TP53 P04637 2/20 0.40

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
SCHEMBL5758622 0.91 HTT (0.44) LMNAMAPTKMT2AMAPK1HTR2A
SCHEMBL4701379 0.85 TGM2 (0.47) LMNAMAPTHTR2AHTR6HTR1A
SCHEMBL5758760 0.85 HTR2A (0.48) LMNAMAPTKMT2AHTR2AHTR6
SCHEMBL5757786 0.85 LMNA (0.45) LMNAMAPTKMT2AMAPK1HTR2A
SCHEMBL4386582 0.83 HTR6 (0.67) LMNAMAPTKMT2AMAPK1HTR2A
SCHEMBL3917828 0.81 MAPT (0.43) LMNAMAPTKMT2AMAPK1HTR2A
SCHEMBL5698823 0.78 SMN1; SMN2 (0.41) LMNAMAPTKMT2AMAPK1ALDH1A1
SCHEMBL6472002 0.78 HTR2A (0.48) LMNAMAPTKMT2AMAPK1HTR2A
SCHEMBL4699246 0.77 TGM2 (0.46) MAPTHTR2AHTR6HTR1ADRD2
SCHEMBL3917775 0.76 SMN1; SMN2 (0.47) MAPTKMT2AHTR2AHTR6HTR1A

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