SCHEMBL5189696

SCHEMBL5189696

NCCCN1CCC(CN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 19/20 0.60
CCR3 P51677 19/20 0.60
KCNH2 Q12809 16/20 0.60

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
SCHEMBL5194926 0.93 HRH1 (0.62) HRH1CCR3KCNH2
SCHEMBL5102799 0.93 HRH1 (0.59) HRH1CCR3KCNH2
SCHEMBL5369447 0.85 HRH1 (0.56) HRH1CCR3KCNH2
SCHEMBL5190493 0.84 HRH1 (0.67) HRH1CCR3KCNH2
SCHEMBL5194584 0.84 HRH1 (0.66) HRH1CCR3KCNH2
SCHEMBL13176831 0.83 HRH1 (0.49) HRH1CCR3KCNH2
SCHEMBL5194600 0.83 HRH1 (0.64) HRH1CCR3KCNH2
SCHEMBL5194620 0.83 HRH1 (0.59) HRH1CCR3KCNH2
SCHEMBL5192954 0.81 HRH1 (0.60) HRH1CCR3KCNH2
SCHEMBL4154387 0.81 HRH1 (0.61) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1816123-A1 Intermediates for the production of pharmaceutically active compounds AstraZeneca AB (SE) 2007-08-08 EP disclosed
EP-1546130-B1 PIPERIDINE DERIVATIVES FOR USE IN THE TREATMENT OF CHEMOKINE MEDIATED DISEASE STATES ASTRAZENECA AB (SE) 2007-08-01 EP disclosed