SCHEMBL6568478

SCHEMBL6568478

Cc1c(OC2CC[N+](C3CCNCC3)(S(=O)(=O)NC(=O)c3ccccc3)CC2)ccc(Cl)c1Cl

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 5/20 0.48
CCR3 P51677 5/20 0.48
KCNH2 Q12809 2/20 0.48
TOP2A P11388 7/20 0.42
HSP90AB1 P08238 6/20 0.42
SUCNR1 Q9BXA5 1/20 0.38
UTS2R Q9UKP6 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
SCHEMBL6569446 0.94 CCR3 (0.56) HRH1CCR3KCNH2TOP2AHSP90AB1
SCHEMBL6570814 0.90 HRH1 (0.39) HRH1CCR3KCNH2TOP2AHSP90AB1
SCHEMBL6568905 0.77 HRH1 (0.46) HRH1CCR3KCNH2UTS2R
SCHEMBL6567839 0.77 BCL9 (0.40) HRH1CCR3TOP2AUTS2R
SCHEMBL6569255 0.76 HRH1 (0.39) HRH1CCR3KCNH2TOP2AHSP90AB1
SCHEMBL6569095 0.76 HRH1 (0.42) HRH1CCR3KCNH2TOP2AHSP90AB1
SCHEMBL6568359 0.75 CCR8 (0.41) HRH1CCR3TOP2AHSP90AB1
SCHEMBL5416894 0.72 HRH1 (0.86) HRH1CCR3KCNH2
SCHEMBL5189891 0.71 HRH1 (0.45) HRH1CCR3TOP2AHSP90AB1
Hydrochloric Acid SCHEMBL180200 0.70 TOP2A (0.44) HRH1CCR3TOP2AHSP90AB1

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