SCHEMBL5689072

SCHEMBL5689072

O=C(NS(=O)(=O)c1cc(F)c(F)cc1F)[C@H]1CC[C@H](N2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 20/20 0.61
CCR3 P51677 20/20 0.61
KCNH2 Q12809 5/20 0.55

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
SCHEMBL5420969 1.00 HRH1 (0.61) HRH1CCR3KCNH2
SCHEMBL5689061 0.95 HRH1 (0.60) HRH1CCR3KCNH2
SCHEMBL5409175 0.95 HRH1 (0.60) HRH1CCR3KCNH2
SCHEMBL5419263 0.95 HRH1 (0.60) HRH1CCR3KCNH2
SCHEMBL5691667 0.95 HRH1 (0.60) HRH1CCR3KCNH2
SCHEMBL5422951 0.91 HRH1 (0.61) HRH1CCR3KCNH2
SCHEMBL5689795 0.91 HRH1 (0.61) HRH1CCR3KCNH2
SCHEMBL6569410 0.90 HRH1 (0.52) HRH1CCR3KCNH2
SCHEMBL5412650 0.87 HRH1 (0.77) HRH1CCR3KCNH2
SCHEMBL5688987 0.86 HRH1 (0.58) HRH1CCR3KCNH2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1404667-B1 PIPERIDINE DERIVATIVES USEFUL AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2006-03-08 EP claimed