SCHEMBL4969433

SCHEMBL4969433

COC(=O)c1ccccc1N1CCC(CN2CC(Oc3ccc(C#N)c(Cl)c3)C2)CC1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 8/20 0.56
CCR3 P51677 8/20 0.56
KCNH2 Q12809 7/20 0.56
AR P10275 11/20 0.45
BDKRB1 P46663 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
SCHEMBL4967137 0.93 HRH1 (0.66) HRH1CCR3KCNH2AR
SCHEMBL4967165 0.91 HRH1 (0.69) HRH1CCR3KCNH2AR
SCHEMBL4967140 0.90 HRH1 (0.69) HRH1CCR3KCNH2
SCHEMBL4967810 0.90 HRH1 (0.46) HRH1CCR3KCNH2AR
SCHEMBL4968661 0.84 HRH1 (0.53) HRH1CCR3KCNH2AR
SCHEMBL4967374 0.84 HRH1 (0.80) HRH1CCR3KCNH2
SCHEMBL4969650 0.83 HRH1 (0.53) HRH1CCR3KCNH2AR
SCHEMBL4968313 0.83 HRH1 (0.81) HRH1CCR3KCNH2
SCHEMBL4967181 0.82 HRH1 (0.54) HRH1CCR3KCNH2AR
SCHEMBL4966034 0.81 HRH1 (0.54) HRH1CCR3KCNH2AR

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-1625114-B1 Piperidine derivatives for the the treatment of chemokine or H1 mediated diseases ASTRAZENECA AB (SE) 2008-08-27 EP disclosed