SCHEMBL8995219

SCHEMBL8995219

O=[C]c1ccc(OCCCN2CCCCC2)cc1

nearest known ligand 0.72

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 20/20 0.72
KCNH2 Q12809 3/20 0.65
ACHE P22303 1/20 0.65
RAD52 P43351 1/20 0.65
HRH1 P35367 2/20 0.64
HRH2 P25021 1/20 0.64

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
SCHEMBL8995216 0.98 HRH3 (0.69) HRH3KCNH2ACHERAD52HRH1
SCHEMBL1985063 0.92 PSMB1 (0.66) HRH3KCNH2
SCHEMBL7590612 0.90 PSMB1 (0.63) HRH3KCNH2
SCHEMBL3581930 0.88 HRH3 (0.89) HRH3KCNH2ACHERAD52HRH1
SCHEMBL3578646 0.84 HRH3 (0.90) HRH3KCNH2ACHERAD52HRH1
SCHEMBL491825 0.84 HRH3 (1.00) HRH3KCNH2ACHERAD52HRH1
SCHEMBL5276568 0.84 HRH3 (1.00) HRH3KCNH2ACHERAD52HRH1
SCHEMBL492096 0.84 HRH3 (1.00) HRH3KCNH2ACHERAD52HRH1
SCHEMBL12050645 0.83 HRH3 (1.00) HRH3KCNH2HRH1HRH2
SCHEMBL4094339 0.83 HRH3 (1.00) HRH3KCNH2HRH1HRH2

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-5496844-A Indole derivatives OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1996-03-05 US disclosed
EP-0639567-A1 INDOLE DERIVATIVE OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1995-02-22 EP disclosed