SCHEMBL3378084

SCHEMBL3378084

CN(CC1CC(Oc2ccc(CN3CCCC3)c(Cl)c2)C1)C(=O)Oc1cc(C2CC2)on1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.48
LSS P48449 1/20 0.36
SMYD3 Q9H7B4 4/20 0.35
KCNH2 Q12809 5/20 0.35
HRH1 P35367 2/20 0.35
CCR3 P51677 2/20 0.35
MCHR1 Q99705 3/20 0.34
MLNR O43193 1/20 0.34
GSK3B P49841 1/20 0.33
ADRB2 P07550 1/20 0.32

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
SCHEMBL3380675 0.90 HRH3 (0.48) HRH3KCNH2HRH1CCR3MCHR1
SCHEMBL3378194 0.89 HRH3 (0.47) HRH3KCNH2HRH1CCR3MCHR1
SCHEMBL3377526 0.88 HRH3 (0.47) HRH3LSSKCNH2HRH1CCR3
SCHEMBL3377866 0.85 HRH3 (0.48) HRH3LSSKCNH2HRH1CCR3
SCHEMBL3377732 0.83 HRH3 (0.47) HRH3LSSKCNH2HRH1CCR3
SCHEMBL3377365 0.83 HRH3 (0.47) HRH3KCNH2HRH1CCR3MCHR1
SCHEMBL3381646 0.83 HRH3 (0.49) HRH3LSSKCNH2HRH1CCR3
SCHEMBL3375675 0.83 HRH3 (0.49) HRH3KCNH2HRH1CCR3
SCHEMBL3376039 0.82 HRH3 (0.47) HRH3LSSKCNH2HRH1CCR3
SCHEMBL3380203 0.82 HRH3 (0.48) HRH3KCNH2HRH1CCR3MCHR1

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-1899296-B1 HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER PROD INC (US) 2010-11-17 EP claimed