SCHEMBL6569229

SCHEMBL6569229

O=C(NS(=O)(=O)c1ccccc1Br)[N+]1(C2CCNCC2)CCC(Oc2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 15/20 0.47
CCR3 P51677 15/20 0.47
KCNH2 Q12809 4/20 0.42
LGALS8 O00214 1/20 0.38
LGALS3 P17931 1/20 0.38
P2RX7 Q99572 1/20 0.38
UTS2R Q9UKP6 1/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 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
SCHEMBL6569359 0.83 HRH1 (0.38) HRH1CCR3KCNH2LGALS8LGALS3
SCHEMBL6570411 0.83 HRH1 (0.45) HRH1CCR3KCNH2LGALS8LGALS3
SCHEMBL6567411 0.83 HRH1 (0.46) HRH1CCR3KCNH2P2RX7
SCHEMBL6570601 0.78 HRH1 (0.43) HRH1CCR3KCNH2SLC6A2SLC6A4
SCHEMBL6569255 0.77 HRH1 (0.39) HRH1CCR3KCNH2LGALS8LGALS3
SCHEMBL6569095 0.77 HRH1 (0.42) HRH1CCR3KCNH2UTS2R
SCHEMBL6569264 0.76 CA1 (0.37) HRH1CCR3KCNH2P2RX7
SCHEMBL6569275 0.75 HRH1 (0.46) HRH1CCR3KCNH2LGALS8LGALS3
SCHEMBL7016612 0.74 HRH1 (0.41) HRH1CCR3KCNH2P2RX7UTS2R
SCHEMBL6681927 0.73 SLC6A4 (0.43) HRH1CCR3KCNH2P2RX7UTS2R

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