SCHEMBL6569095

SCHEMBL6569095

Cc1ccccc1S(=O)(=O)NC(=O)[N+]1(C2CCNCC2)CCC(Oc2ccc(Cl)c(Cl)c2C)CC1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 11/20 0.42
CCR3 P51677 11/20 0.42
HSP90AB1 P08238 3/20 0.37
TOP2A P11388 3/20 0.37
KCNH2 Q12809 1/20 0.36
HTR6 P50406 2/20 0.36
UTS2R Q9UKP6 1/20 0.33
MCL1 Q07820 1/20 0.33
HTR2C P28335 1/20 0.32

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
SCHEMBL6569255 0.94 HRH1 (0.39) HRH1CCR3HSP90AB1TOP2AKCNH2
SCHEMBL6567411 0.77 HRH1 (0.46) HRH1CCR3KCNH2
SCHEMBL6569229 0.77 HRH1 (0.47) HRH1CCR3KCNH2UTS2R
SCHEMBL6570421 0.76 HRH1 (0.51) HRH1CCR3KCNH2HTR2C
SCHEMBL6568478 0.76 HRH1 (0.48) HRH1CCR3HSP90AB1TOP2AKCNH2
SCHEMBL6570411 0.76 HRH1 (0.45) HRH1CCR3KCNH2HTR6HTR2C
SCHEMBL6569389 0.73 HRH1 (0.46) HRH1CCR3KCNH2UTS2R
SCHEMBL5406407 0.73 HRH1 (0.74) HRH1CCR3KCNH2
SCHEMBL6569275 0.71 HRH1 (0.46) HRH1CCR3KCNH2HTR2C
SCHEMBL6570601 0.70 HRH1 (0.43) HRH1CCR3KCNH2MCL1HTR2C

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