SCHEMBL5786804

SCHEMBL5786804

N#Cc1ccc(C(=O)N2CCOC(CN3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)C2)cc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 18/20 0.57
CCR3 P51677 18/20 0.57
KCNH2 Q12809 9/20 0.54
OPRK1 P41145 1/20 0.45
PRKAB2 O43741 1/20 0.43
CYP3A4 P08684 1/20 0.43
PRKAG1 P54619 1/20 0.43
PRKAA2 P54646 1/20 0.43
PRKAA1 Q13131 1/20 0.43
PRKAG3 Q9UGI9 1/20 0.43
PRKAG2 Q9UGJ0 1/20 0.43
PRKAB1 Q9Y478 1/20 0.43

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
SCHEMBL5790564 0.85 HRH1 (0.58) HRH1CCR3KCNH2
SCHEMBL5790517 0.85 CCR3 (0.56) HRH1CCR3KCNH2
SCHEMBL5338616 0.84 HRH1 (0.69) HRH1CCR3KCNH2
SCHEMBL5348492 0.84 HRH1 (0.69) HRH1CCR3KCNH2
SCHEMBL5791306 0.84 CCR3 (0.55) HRH1CCR3KCNH2
SCHEMBL5787535 0.83 CCR3 (0.56) HRH1CCR3KCNH2
SCHEMBL5788895 0.83 HRH1 (0.57) HRH1CCR3KCNH2
SCHEMBL5789606 0.82 HRH1 (0.66) HRH1CCR3KCNH2
SCHEMBL5788728 0.81 HRH1 (0.61) HRH1CCR3KCNH2
SCHEMBL5790087 0.81 CCR3 (0.57) 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