SCHEMBL5689449

SCHEMBL5689449

COc1ccc(S(=O)(=O)NC(=O)[C@H]2CC[C@H](N3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)CC2)cc1OC

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 19/20 0.65
CCR3 P51677 19/20 0.65
KCNH2 Q12809 5/20 0.60
DRD2 P14416 1/20 0.47
ADRA1D P25100 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47

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
SCHEMBL5403836 1.00 HRH1 (0.65) HRH1CCR3KCNH2DRD2ADRA1D
SCHEMBL5689010 0.90 HRH1 (0.66) HRH1CCR3KCNH2
SCHEMBL5418989 0.90 HRH1 (0.66) HRH1CCR3KCNH2
SCHEMBL5417285 0.88 HRH1 (0.84) HRH1CCR3KCNH2
SCHEMBL5413904 0.88 HRH1 (0.77) HRH1CCR3KCNH2
SCHEMBL5689500 0.88 HRH1 (0.77) HRH1CCR3KCNH2
SCHEMBL5688985 0.87 HRH1 (0.76) HRH1CCR3KCNH2
SCHEMBL5409142 0.87 HRH1 (0.76) HRH1CCR3KCNH2
SCHEMBL5414635 0.87 HRH1 (0.78) HRH1CCR3KCNH2
SCHEMBL5691269 0.87 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-1404667-B1 PIPERIDINE DERIVATIVES USEFUL AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2006-03-08 EP claimed