SCHEMBL4607124

SCHEMBL4607124

CC1=CC(OCCCN2CCCCC2)=CC[CH]1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 15/20 0.47
ALDH1A1 P00352 1/20 0.47
KDM4E B2RXH2 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
ACHE P22303 1/20 0.46
RAD52 P43351 1/20 0.46
HRH1 P35367 1/20 0.43
HRH4 Q9H3N8 1/20 0.43

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
SCHEMBL5751970 0.82 HRH3 (0.48) HRH3ACHERAD52
SCHEMBL5753560 0.70 HRH3 (0.49) HRH3L3MBTL1ACHERAD52HRH1
SCHEMBL2827364 0.67 HRH3 (0.75) HRH3KDM4EL3MBTL1ACHERAD52
SCHEMBL10200146 0.67 HRH3 (0.75) HRH3KDM4EL3MBTL1ACHERAD52
SCHEMBL7442447 0.67 MEN1 (0.46) HRH3ALDH1A1KDM4EL3MBTL1CYP2D6
SCHEMBL3581930 0.67 HRH3 (0.89) HRH3L3MBTL1ACHERAD52HRH1
SCHEMBL25997033 0.66 L3MBTL1 (0.54) HRH3ALDH1A1KDM4EL3MBTL1CYP2D6
SCHEMBL23804894 0.65 HRH3 (0.77) HRH3ALDH1A1ACHERAD52HRH1
SCHEMBL2629440 0.65 HRH3 (0.72) HRH3KDM4EL3MBTL1ACHERAD52
SCHEMBL491935 0.65 HRH3 (0.88) HRH3ACHERAD52

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
EP-1945206-A1 INDOLE DERIVATIVES AS HISTAMINE 3 RECEPTOR INHIBITORS FOR THE TREATMENT OF COGNITIVE AND SLEEP DISORDERS, OBESITY AND OTHER CNS DISORDERS Athersys, Inc. (US) 2008-07-23 EP claimed
WO-2007047775-A1 INDOLE DERIVATIVES AS HISTAMINE 3 RECEPTOR INHIBITORS FOR THE TREATMENT OF COGNITIVE AND SLEEP DISORDERS, OBESITY AND OTHER CNS DISORDERS ATHERSYS, INC. (US) 2007-04-26 WO claimed