SCHEMBL3377526

SCHEMBL3377526

CC(C)c1cc(OC(=O)N(C)CC2CC(Oc3ccc(CN4CCCC4)c(Cl)c3)C2)no1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.47
THRB P10828 1/20 0.34
KCNH2 Q12809 4/20 0.34
HRH1 P35367 2/20 0.34
CCR3 P51677 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MCHR1 Q99705 2/20 0.33
MLNR O43193 1/20 0.33
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
PDK1 Q15118 1/20 0.32
LMNA P02545 1/20 0.32
GSK3B P49841 1/20 0.32
LSS P48449 1/20 0.31

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 0.91 HRH3 (0.48) HRH3THRBKCNH2HRH1CCR3
SCHEMBL3378194 0.90 HRH3 (0.47) HRH3THRBKCNH2HRH1CCR3
SCHEMBL3378084 0.88 HRH3 (0.48) HRH3KCNH2HRH1CCR3MCHR1
SCHEMBL3377725 0.87 HRH3 (0.46) HRH3THRBKCNH2HRH1CCR3
SCHEMBL3380335 0.86 HRH3 (0.39) HRH3THRBMEN1KMT2A
SCHEMBL3377866 0.86 HRH3 (0.48) HRH3THRBKCNH2HRH1CCR3
SCHEMBL3380203 0.84 HRH3 (0.48) HRH3KCNH2HRH1CCR3MEN1
SCHEMBL3377365 0.83 HRH3 (0.47) HRH3THRBKCNH2HRH1CCR3
SCHEMBL3380414 0.83 HRH3 (0.47) HRH3KCNH2HRH1CCR3MEN1
SCHEMBL3377732 0.83 HRH3 (0.47) HRH3THRBKCNH2HRH1CCR3

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