SCHEMBL6569252

SCHEMBL6569252

O=C(NS(=O)(=O)[N+]1(C2CCNCC2)CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1c[nH]c(=O)c2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 20/20 0.54
CCR3 P51677 20/20 0.54
KCNH2 Q12809 14/20 0.54
CCR1 P32246 1/20 0.54

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
SCHEMBL6568905 0.80 HRH1 (0.46) HRH1CCR3KCNH2
SCHEMBL6570586 0.78 CCR3 (0.39) HRH1CCR3KCNH2
SCHEMBL5408959 0.76 HRH1 (0.72) HRH1CCR3KCNH2CCR1
SCHEMBL6570664 0.72 SLC6A2 (0.48) HRH1CCR3KCNH2
SCHEMBL18841174 0.71 CCR3 (0.74) HRH1CCR3KCNH2CCR1
SCHEMBL2923421 0.70 HRH1 (1.00) HRH1CCR3KCNH2CCR1
SCHEMBL2918679 0.70 HRH1 (1.00) HRH1CCR3KCNH2CCR1
SCHEMBL6568478 0.70 HRH1 (0.48) HRH1CCR3KCNH2
SCHEMBL6569446 0.69 CCR3 (0.56) HRH1CCR3KCNH2
SCHEMBL13324592 0.69 HRH1 (0.70) HRH1CCR3KCNH2CCR1

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