SCHEMBL5689586

SCHEMBL5689586

Nc1nnc(S(=O)(=O)NC(=O)[C@H]2CC[C@H](N3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)CC2)s1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 20/20 0.53
CCR3 P51677 20/20 0.53
KCNH2 Q12809 6/20 0.52

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
SCHEMBL5411671 1.00 HRH1 (0.53) HRH1CCR3KCNH2
SCHEMBL5406546 0.88 HRH1 (0.68) HRH1CCR3KCNH2
SCHEMBL5689537 0.87 HRH1 (0.51) HRH1CCR3KCNH2
SCHEMBL5420195 0.87 HRH1 (0.51) HRH1CCR3KCNH2
SCHEMBL5691533 0.83 HRH1 (0.57) HRH1CCR3KCNH2
SCHEMBL5414153 0.83 HRH1 (0.57) HRH1CCR3KCNH2
SCHEMBL5688670 0.82 HRH1 (0.56) HRH1CCR3KCNH2
SCHEMBL5691339 0.82 HRH1 (0.56) HRH1CCR3KCNH2
SCHEMBL5691060 0.82 HRH1 (0.60) HRH1CCR3KCNH2
SCHEMBL5417249 0.82 HRH1 (0.60) 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