SCHEMBL6568359

SCHEMBL6568359

COc1ccccc1C(=O)NS(=O)(=O)[N+]1(C2CCNCC2)CCC(Oc2ccc(Cl)cc2C)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 1/20 0.41
HRH1 P35367 1/20 0.40
CCR3 P51677 1/20 0.40
HSP90AB1 P08238 2/20 0.39
TOP2A P11388 2/20 0.39
BRPF1 P55201 1/20 0.39
PNLIP P16233 1/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 2/20 0.38
KCNMA1 Q12791 1/20 0.38
HIF1A Q16665 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
IRAK1 P51617 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
DDR1 Q08345 1/20 0.37
CHRM1 P11229 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
MEN1 O00255 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
SCHEMBL6567839 0.82 BCL9 (0.40) HRH1CCR3TOP2AALDH1A1KDM4E
SCHEMBL6568478 0.75 HRH1 (0.48) HRH1CCR3HSP90AB1TOP2A
SCHEMBL6569446 0.75 CCR3 (0.56) HRH1CCR3HSP90AB1TOP2A
SCHEMBL5414704 0.73 HRH1 (0.58) HRH1CCR3ALDH1A1KDM4EKCNMA1
SCHEMBL6570421 0.72 HRH1 (0.51) HRH1CCR3HTR2CHTR2BIRAK1
SCHEMBL5691641 0.72 HRH1 (0.40) HRH1CCR3PNLIPALDH1A1KDM4E
SCHEMBL2924499 0.69 HTR2C (0.56) HTR2CHTR2B
SCHEMBL6569252 0.68 HRH1 (0.54) HRH1CCR3
Hydrochloric Acid SCHEMBL4995893 0.68 HTR2C (0.55) HTR2CHTR2B
Hydrochloric Acid SCHEMBL8477391 0.65 HSP90AB1 (0.62) CCR8HSP90AB1TOP2ABRPF1NPC1

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