SCHEMBL4969029

SCHEMBL4969029

O=C(O)c1cc(N2CCC(CN3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)CC2)ccc1Cl

nearest known ligand 0.80

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 20/20 0.80
CCR3 P51677 20/20 0.80
KCNH2 Q12809 18/20 0.80

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
SCHEMBL4967396 0.89 HRH1 (1.00) HRH1CCR3KCNH2
SCHEMBL4969281 0.89 HRH1 (0.69) HRH1CCR3KCNH2
SCHEMBL4967793 0.87 HRH1 (0.67) HRH1CCR3KCNH2
SCHEMBL4967633 0.86 HRH1 (1.00) HRH1CCR3KCNH2
SCHEMBL4970161 0.85 HRH1 (1.00) HRH1CCR3KCNH2
SCHEMBL18841161 0.85 HRH1 (1.00) HRH1CCR3KCNH2
SCHEMBL18841192 0.85 HRH1 (1.00) HRH1CCR3KCNH2
SCHEMBL4966352 0.83 HRH1 (0.81) HRH1CCR3KCNH2
SCHEMBL5002422 0.83 HRH1 (1.00) HRH1CCR3KCNH2
SCHEMBL4967248 0.83 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