SCHEMBL6570664

SCHEMBL6570664

NS(=O)(=O)[N+]1(C2CCNCC2)CCC(Oc2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48
FPR2 P25090 2/20 0.42
PROKR1 Q8TCW9 2/20 0.42
P2RX7 Q99572 1/20 0.38
ROCK1 Q13464 2/20 0.37
ROCK2 O75116 1/20 0.37
PRKACA P17612 1/20 0.37
PRKCD Q05655 1/20 0.37
PRKG1 Q13976 1/20 0.37
PKN1 Q16512 1/20 0.37
PKN2 Q16513 1/20 0.37
AAK1 Q2M2I8 1/20 0.37
CDC42BPA Q5VT25 1/20 0.37
Q6ZSR9 Q6ZSR9 1/20 0.37
BMP2K Q9NSY1 1/20 0.37
CDC42BPB Q9Y5S2 1/20 0.37
TIPARP Q7Z3E1 1/20 0.36
HRH1 P35367 6/20 0.36

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
SCHEMBL31128128 0.79 SLC6A2 (0.69) SLC6A2SLC6A4SLC6A3FPR2PROKR1
SCHEMBL942585 0.79 SLC6A2 (0.69) SLC6A2SLC6A4SLC6A3FPR2PROKR1
SCHEMBL6568905 0.78 HRH1 (0.46) SLC6A2SLC6A4SLC6A3P2RX7HRH1
Hydrochloric Acid SCHEMBL4107468 0.77 SLC6A2 (0.67) SLC6A2SLC6A4SLC6A3FPR2PROKR1
Hydrochloric Acid SCHEMBL31381194 0.77 SLC6A2 (0.67) SLC6A2SLC6A4SLC6A3FPR2PROKR1
SCHEMBL5468103 0.74 SLC6A2 (0.61) SLC6A2SLC6A4SLC6A3FPR2PROKR1
Hydrochloric Acid SCHEMBL5461807 0.72 SLC6A2 (0.59) SLC6A2SLC6A4SLC6A3FPR2PROKR1
SCHEMBL6569252 0.72 HRH1 (0.54) HRH1CCR3KCNH2
SCHEMBL6681927 0.72 SLC6A4 (0.43) SLC6A2SLC6A4SLC6A3FPR2PROKR1
SCHEMBL6219350 0.70 SLC6A2 (0.75) SLC6A2SLC6A4SLC6A3ROCK1HTR2C

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-1404667-A1 PIPERIDINE DERIVATIVES USEFUL AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY AstraZeneca AB (SE) 2004-04-07 EP disclosed
WO-2003004487-A1 PIPERIDINE DERIVATIVES USEFUL AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2003-01-16 WO disclosed