SCHEMBL4608619

SCHEMBL4608619

[c]1cc2ccccc2n1-c1cccc(OCCCN2CCCC2)c1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
HRH3 Q9Y5N1 11/20 0.52
DRD3 P35462 1/20 0.50
ALDH1A1 P00352 2/20 0.49
HRH1 P35367 2/20 0.49
TSHR P16473 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KCNH2 Q12809 1/20 0.49

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
SCHEMBL4606822 0.74 POLB (0.52) KDM4EHRH3ALDH1A1HRH1KCNH2
SCHEMBL14970452 0.74 HRH3 (0.89) HRH3DRD3HRH1KCNH2
SCHEMBL492205 0.73 HRH3 (0.84) KDM4EHRH3DRD3ALDH1A1HRH1
SCHEMBL3576816 0.73 KDM4E (0.61) KDM4EL3MBTL1HRH3DRD3ALDH1A1
SCHEMBL21462645 0.72 HRH3 (0.86) KDM4EL3MBTL1HRH3ALDH1A1HRH1
SCHEMBL4084100 0.71 HRH3 (0.87) KDM4EHRH3ALDH1A1HRH1SMN1; SMN2
SCHEMBL2823877 0.71 HRH3 (0.87) KDM4EHRH3ALDH1A1HRH1SMN1; SMN2
SCHEMBL3996964 0.71 DRD3 (0.49) KDM4EHRH3DRD3ALDH1A1HRH1
SCHEMBL7959785 0.71 KDM4E (0.67) KDM4EL3MBTL1HRH3ALDH1A1TSHR
SCHEMBL17372602 0.71 LTA4H (0.70) KDM4EL3MBTL1HRH3ALDH1A1TSHR

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 disclosed
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 disclosed