SCHEMBL4616917

SCHEMBL4616917

CCC[C@@](C)(C(=O)O)N1CCC(CN2CCC(Oc3ccc(Cl)c(Cl)c3C)CC2)CC1

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 7/20 0.57

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
SCHEMBL4617323 0.90 HRH1 (0.77) HRH1CCR3KCNH2
SCHEMBL179983 0.89 HRH1 (1.00) HRH1CCR3KCNH2
SCHEMBL180281 0.89 HRH1 (1.00) HRH1CCR3KCNH2
SCHEMBL180056 0.87 HRH1 (1.00) HRH1CCR3KCNH2
SCHEMBL180057 0.87 HRH1 (1.00) HRH1CCR3KCNH2
SCHEMBL180099 0.85 HRH1 (0.80) HRH1CCR3KCNH2
SCHEMBL180079 0.85 HRH1 (0.82) HRH1CCR3KCNH2
SCHEMBL180201 0.83 HRH1 (0.86) HRH1CCR3KCNH2
SCHEMBL5194236 0.83 HRH1 (0.67) HRH1CCR3KCNH2
SCHEMBL180030 0.81 HRH1 (0.64) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1888526-A1 PIPERIDINES FOR THE TREATMENT OF CHEMOKINE MEDIATED DISEASES AstraZeneca AB (SE) 2008-02-20 EP disclosed
WO-2006126947-A1 PIPERIDINES FOR THE TREATMENT OF CHEMOKINE MEDIATED DISEASES ASTRAZENECA AB (SE) 2006-11-30 WO disclosed