SCHEMBL6569255

SCHEMBL6569255

Cc1c(OC2CC[N+](C(=O)NS(=O)(=O)c3ccccc3Cl)(C3CCNCC3)CC2)ccc(Cl)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 10/20 0.39
CCR3 P51677 10/20 0.39
HTR6 P50406 1/20 0.39
HSP90AB1 P08238 3/20 0.37
TOP2A P11388 3/20 0.37
KCNH2 Q12809 1/20 0.37
LGALS8 O00214 1/20 0.35
LGALS3 P17931 1/20 0.35
HTR2C P28335 1/20 0.34
POLB P06746 1/20 0.34
SSTR1 P30872 1/20 0.33
SSTR4 P31391 1/20 0.33

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
SCHEMBL6569095 0.94 HRH1 (0.42) HRH1CCR3HTR6HSP90AB1TOP2A
SCHEMBL6570411 0.81 HRH1 (0.45) HRH1CCR3HTR6KCNH2LGALS8
SCHEMBL6569229 0.77 HRH1 (0.47) HRH1CCR3KCNH2LGALS8LGALS3
SCHEMBL6568478 0.76 HRH1 (0.48) HRH1CCR3HSP90AB1TOP2AKCNH2
SCHEMBL6570421 0.75 HRH1 (0.51) HRH1CCR3KCNH2HTR2C
SCHEMBL6567411 0.74 HRH1 (0.46) HRH1CCR3KCNH2
SCHEMBL6569389 0.74 HRH1 (0.46) HRH1CCR3KCNH2
SCHEMBL5412001 0.73 HRH1 (0.70) HRH1CCR3KCNH2
SCHEMBL6569275 0.71 HRH1 (0.46) HRH1CCR3KCNH2LGALS8LGALS3
SCHEMBL6570601 0.70 HRH1 (0.43) HRH1CCR3KCNH2HTR2C

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