SCHEMBL5758622

SCHEMBL5758622

CC(C)COC(=O)N1CCN(c2cccc3cc(S(=O)(=O)N4CCOCC4)cnc23)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.44
LMNA P02545 5/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPK1 P28482 3/20 0.44
USP2 O75604 2/20 0.44
POLB P06746 2/20 0.44
TSHR P16473 2/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HTR2A P28223 3/20 0.42
HTR6 P50406 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
HTR7 P34969 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KDM4E B2RXH2 1/20 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
SCHEMBL5757481 0.91 LMNA (0.47) HTTLMNAALDH1A1MAPK1POLB
SCHEMBL4699246 0.86 TGM2 (0.46) HTTALDH1A1POLBTSHRMAPT
SCHEMBL5758760 0.84 HTR2A (0.48) HTTLMNAALDH1A1USP2TSHR
SCHEMBL5757786 0.83 LMNA (0.45) HTTLMNAALDH1A1MAPK1MAPT
SCHEMBL4386582 0.81 HTR6 (0.67) HTTLMNAALDH1A1MAPK1TSHR
SCHEMBL3917828 0.80 MAPT (0.43) HTTLMNAALDH1A1MAPK1POLB
SCHEMBL4701379 0.77 TGM2 (0.47) HTTLMNAALDH1A1TSHRMAPT
SCHEMBL5698823 0.77 SMN1; SMN2 (0.41) HTTLMNAALDH1A1MAPK1TSHR
SCHEMBL4701408 0.77 HTR6 (0.66) HTTALDH1A1TSHRKMT2AMEN1
SCHEMBL6472002 0.77 HTR2A (0.48) LMNAALDH1A1MAPK1POLBMAPT

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