SCHEMBL5790885

SCHEMBL5790885

O=C(Cc1cc(F)cc(F)c1)N1CCOC(CN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)C1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 20/20 0.58
CCR3 P51677 20/20 0.58
KCNH2 Q12809 11/20 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
SCHEMBL5787884 0.90 HRH1 (0.57) HRH1CCR3KCNH2
SCHEMBL5789430 0.85 HRH1 (0.55) HRH1CCR3KCNH2
SCHEMBL5791070 0.85 HRH1 (0.55) HRH1CCR3KCNH2
SCHEMBL5338616 0.84 HRH1 (0.69) HRH1CCR3KCNH2
SCHEMBL5348492 0.84 HRH1 (0.69) HRH1CCR3KCNH2
SCHEMBL5787930 0.82 HRH1 (0.62) HRH1CCR3KCNH2
SCHEMBL5788728 0.82 HRH1 (0.61) HRH1CCR3KCNH2
SCHEMBL5787507 0.82 CCR3 (0.59) HRH1CCR3KCNH2
SCHEMBL5789563 0.82 HRH1 (0.55) HRH1CCR3KCNH2
SCHEMBL5791064 0.81 HRH1 (0.59) 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-1430050-B1 PIPERIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF CHEMOKINE (ESPECIALLY CCR3) ACTIVITY ASTRAZENECA AB (SE) 2006-08-02 EP disclosed