SCHEMBL8995216

SCHEMBL8995216

O=[C]c1ccc(OCCCN2CCCC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 19/20 0.69
HRH1 P35367 2/20 0.66
HRH2 P25021 1/20 0.66
KCNH2 Q12809 1/20 0.62
ACHE P22303 1/20 0.62
RAD52 P43351 1/20 0.62
KDM4E B2RXH2 1/20 0.60
ALDH1A1 P00352 1/20 0.60
SMN1; SMN2 Q16637 1/20 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
SCHEMBL8995219 0.98 HRH3 (0.72) HRH3HRH1HRH2KCNH2ACHE
SCHEMBL7590612 0.92 PSMB1 (0.63) HRH3KCNH2KDM4E
SCHEMBL1985063 0.90 PSMB1 (0.66) HRH3KCNH2KDM4E
SCHEMBL3581930 0.86 HRH3 (0.89) HRH3HRH1KCNH2ACHERAD52
SCHEMBL491845 0.83 HRH3 (0.97) HRH3HRH1HRH2
SCHEMBL3578646 0.82 HRH3 (0.90) HRH3HRH1KCNH2ACHERAD52
SCHEMBL12050718 0.82 HRH3 (0.96) HRH3HRH1HRH2KCNH2
SCHEMBL491825 0.82 HRH3 (1.00) HRH3HRH1HRH2KCNH2ACHE
SCHEMBL5855947 0.82 HRH3 (0.94) HRH3HRH1HRH2
SCHEMBL5276568 0.82 HRH3 (1.00) HRH3HRH1HRH2KCNH2ACHE

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