SCHEMBL6214541

SCHEMBL6214541

CC(=O)Nc1ccc(F)cc1OC[C@@H](O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 13/20 0.67
CCR3 P51677 13/20 0.67
CCR1 P32246 6/20 0.67
KCNH2 Q12809 6/20 0.52
HTR1A P08908 1/20 0.47
DRD2 P14416 1/20 0.47
HTR2A P28223 1/20 0.47
CACNA1G O43497 1/20 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
SCHEMBL6214546 1.00 HRH1 (0.67) HRH1CCR3CCR1KCNH2HTR1A
SCHEMBL6216373 1.00 HRH1 (0.67) HRH1CCR3CCR1KCNH2HTR1A
Trifluoroacetic Acid SCHEMBL6211631 0.95 HRH1 (0.61) HRH1CCR3CCR1KCNH2
SCHEMBL6214133 0.95 HRH1 (0.60) HRH1CCR3CCR1KCNH2HTR1A
SCHEMBL6210978 0.93 HRH1 (0.67) HRH1CCR3CCR1KCNH2HTR1A
SCHEMBL6214542 0.92 CCR1 (0.60) HRH1CCR3CCR1KCNH2HTR1A
SCHEMBL6216140 0.91 HRH1 (0.65) HRH1CCR3CCR1KCNH2
SCHEMBL6074255 0.91 HRH1 (0.80) HRH1CCR3CCR1KCNH2DRD2
SCHEMBL6212176 0.89 HRH1 (0.60) HRH1CCR3CCR1KCNH2HTR1A
SCHEMBL6211635 0.87 HRH1 (0.51) HRH1CCR3CCR1KCNH2

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-1263724-B1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2005-05-18 EP claimed