SCHEMBL4680729

SCHEMBL4680729

COc1cc(C(C(=O)O)N2CCC(N3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)CC2)cc(OC)c1OC

nearest known ligand 0.75

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ HRH1 P35367 20/20 0.75
▸ CCR3 P51677 20/20 0.75
▸ KCNH2 Q12809 10/20 0.75

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
SCHEMBL4684383 0.91 HRH1 (0.75) HRH1CCR3KCNH2
SCHEMBL4035142 0.86 HRH1 (0.73) HRH1CCR3KCNH2
SCHEMBL4040955 0.86 HRH1 (1.00) HRH1CCR3KCNH2
SCHEMBL4680515 0.85 HRH1 (0.69) HRH1CCR3KCNH2
SCHEMBL4681914 0.85 HRH1 (0.75) HRH1CCR3KCNH2
SCHEMBL4682712 0.85 HRH1 (0.83) HRH1CCR3KCNH2
SCHEMBL4682696 0.83 HRH1 (0.77) HRH1CCR3KCNH2
SCHEMBL4677977 0.83 HRH1 (0.82) HRH1CCR3KCNH2
SCHEMBL4681708 0.83 HRH1 (0.79) HRH1CCR3KCNH2
SCHEMBL4684317 0.83 HRH1 (0.82) 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-1487817-B1 PIPERIDINE DERIVATIVES USEFUL AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2008-06-04 — — EP disclosed
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