SCHEMBL4969652

SCHEMBL4969652

O=C(O)c1cc(F)ccc1N1CCC(CN2CC(Oc3ccc(Cl)c(Cl)c3)C2)CC1

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 18/20 0.67
CCR3 P51677 18/20 0.67
KCNH2 Q12809 13/20 0.67
LIPG Q9Y5X9 2/20 0.48
LIPC P11150 1/20 0.48

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
SCHEMBL4969238 0.90 HRH1 (0.56) HRH1CCR3KCNH2
SCHEMBL4967181 0.90 HRH1 (0.54) HRH1CCR3KCNH2LIPGLIPC
SCHEMBL4967162 0.88 HRH1 (0.85) HRH1CCR3KCNH2
SCHEMBL4968585 0.85 HRH1 (0.57) HRH1CCR3KCNH2LIPGLIPC
SCHEMBL4969400 0.84 HRH1 (0.65) HRH1CCR3KCNH2
SCHEMBL4968203 0.83 HRH1 (0.63) HRH1CCR3KCNH2
SCHEMBL4967810 0.81 HRH1 (0.46) HRH1CCR3KCNH2
SCHEMBL4970161 0.80 HRH1 (1.00) HRH1CCR3KCNH2
SCHEMBL4967140 0.80 HRH1 (0.69) HRH1CCR3KCNH2
SCHEMBL5192764 0.80 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-1625114-B1 Piperidine derivatives for the the treatment of chemokine or H1 mediated diseases ASTRAZENECA AB (SE) 2008-08-27 EP disclosed