SCHEMBL4965599

SCHEMBL4965599

Cc1c(OC2CCN(CC3CCN(c4cccc(C(=O)O)c4)CC3)CC2)ccc(Cl)c1Cl

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 18/20 0.71
CCR3 P51677 18/20 0.71
KCNH2 Q12809 13/20 0.71
OPRK1 P41145 2/20 0.46

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
SCHEMBL4969153 0.93 HRH1 (0.71) HRH1CCR3KCNH2OPRK1
SCHEMBL4967350 0.91 HRH1 (0.59) HRH1CCR3KCNH2OPRK1
SCHEMBL4967633 0.83 HRH1 (1.00) HRH1CCR3KCNH2
SCHEMBL4967091 0.82 HRH1 (0.57) HRH1CCR3KCNH2OPRK1
SCHEMBL4966743 0.81 HRH1 (0.82) HRH1CCR3KCNH2OPRK1
SCHEMBL5194236 0.81 HRH1 (0.67) HRH1CCR3KCNH2
SCHEMBL5192095 0.80 HRH1 (0.69) HRH1CCR3KCNH2
SCHEMBL5192348 0.78 HRH1 (0.74) HRH1CCR3KCNH2
SCHEMBL5192338 0.77 HRH1 (0.62) HRH1CCR3KCNH2
SCHEMBL5194209 0.77 HRH1 (0.76) 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