SCHEMBL4595408

SCHEMBL4595408

[CH2]CCOc1ccc(-c2ccc(C#CCN3CCCCC3)cc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 18/20 0.76
LMNA P02545 1/20 0.59
HRH1 P35367 2/20 0.49
HRH2 P25021 1/20 0.49
KCNH2 Q12809 2/20 0.48
LTA4H P09960 1/20 0.47
HRH4 Q9H3N8 1/20 0.46

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
SCHEMBL4089524 0.86 HRH3 (1.00) HRH3LMNAHRH1HRH2KCNH2
SCHEMBL22422293 0.79 LMNA (0.96) HRH3LMNA
SCHEMBL18926546 0.77 LMNA (1.00) HRH3LMNA
SCHEMBL5894352 0.77 LMNA (0.71) HRH3LMNALTA4H
Hydrochloric Acid SCHEMBL5894403 0.76 LMNA (0.69) HRH3LMNALTA4H
SCHEMBL3453099 0.75 LMNA (0.79) HRH3LMNA
SCHEMBL5730258 0.71 LMNA (0.79) HRH3LMNAHRH1
SCHEMBL5730065 0.71 LMNA (0.78) HRH3LMNA
SCHEMBL4083598 0.70 HRH3 (0.82) HRH3HRH1HRH2KCNH2
SCHEMBL4501961 0.70 LMNA (0.81) HRH3LMNALTA4H

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-1874746-A2 NOVEL HISTAMINE H3-RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS BIOPROJET (FR) 2008-01-09 EP disclosed
WO-2006117609-A2 PHENOXYPROPYLPIPERIDINES AND -PYRROLIDINES AND THEIR USE AS HISTAMINE H3 -RECEPTOR LIGANDS BIOPROJET (FR) 2006-11-09 WO disclosed