SCHEMBL4966352

SCHEMBL4966352

O=C(O)c1ccc(Cl)c(N2CCC(CN3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)CC2)c1

nearest known ligand 0.81

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 20/20 0.81
CCR3 P51677 20/20 0.81
KCNH2 Q12809 18/20 0.81

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
SCHEMBL4966771 0.93 HRH1 (0.75) HRH1CCR3KCNH2
SCHEMBL4968422 0.92 HRH1 (0.72) HRH1CCR3KCNH2
SCHEMBL4967396 0.90 HRH1 (1.00) HRH1CCR3KCNH2
SCHEMBL4968306 0.88 HRH1 (0.66) HRH1CCR3KCNH2
SCHEMBL4967633 0.87 HRH1 (1.00) HRH1CCR3KCNH2
SCHEMBL5190333 0.87 HRH1 (1.00) HRH1CCR3KCNH2
SCHEMBL4970161 0.86 HRH1 (1.00) HRH1CCR3KCNH2
SCHEMBL5956722 0.86 HRH1 (0.80) HRH1CCR3KCNH2
SCHEMBL4968256 0.84 HRH1 (0.64) HRH1CCR3KCNH2
SCHEMBL4967248 0.84 HRH1 (0.78) 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-1625114-B1 Piperidine derivatives for the the treatment of chemokine or H1 mediated diseases ASTRAZENECA AB (SE) 2008-08-27 EP disclosed