SCHEMBL10679697

SCHEMBL10679697

Cc1ccccc1-c1ccc(OCCCCN2CCCC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 18/20 0.68
KCNH2 Q12809 5/20 0.67
HRH4 Q9H3N8 3/20 0.67
HRH1 P35367 2/20 0.62
LTA4H P09960 1/20 0.57

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
SCHEMBL4090418 0.95 HRH3 (0.73) HRH3KCNH2HRH4HRH1
SCHEMBL10679192 0.86 HRH3 (0.69) HRH3KCNH2HRH4LTA4H
SCHEMBL10679417 0.83 HRH3 (0.97) HRH3KCNH2HRH4HRH1LTA4H
SCHEMBL10676754 0.81 HRH3 (0.97) HRH3KCNH2HRH4HRH1LTA4H
SCHEMBL492265 0.81 HRH3 (0.97) HRH3KCNH2HRH4HRH1LTA4H
SCHEMBL11022798 0.81 CYP2D6 (0.71) HRH3
SCHEMBL5857700 0.80 HRH3 (0.94) HRH3KCNH2HRH4HRH1LTA4H
SCHEMBL13246342 0.79 HRH3 (0.71) HRH3
SCHEMBL491672 0.79 HRH3 (0.79) HRH3KCNH2HRH4HRH1LTA4H
SCHEMBL4849189 0.78 CYP2D6 (0.53)

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
US-4792570-A 3- and 4-biphenyloxyaminoalkanes and related compounds as anti-inflammatory and analgetic agents SYNTEX (U.S.A.) INC. (US) 1988-12-20 US disclosed
EP-0157652-A1 2-, 3- And 4-biphenyloxyaminoalkanes and related compounds, their preparation and uses, and pharmaceutical compositions containing them SYNTEX (U.S.A.) INC. (US) 1985-10-09 EP disclosed