SCHEMBL4379833

SCHEMBL4379833

c1ccc2cc(C(CCCc3c[nH]cn3)OC(CCCc3c[nH]cn3)c3ccc4ccccc4c3)ccc2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.36
HRH4 Q9H3N8 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
HDAC1 Q13547 2/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
SLC6A2 P23975 4/20 0.32
SLC6A4 P31645 4/20 0.32
SLC6A3 Q01959 4/20 0.32
CYP3A4 P08684 3/20 0.32
CYP2D6 P10635 3/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYSLTR2 Q9NS75 2/20 0.32
CYSLTR1 Q9Y271 2/20 0.32
UGT2B7 P16662 1/20 0.32
HDAC8 Q9BY41 1/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL8934765 0.93 UTS2R (0.32) AOC3HRH4HRH3HDAC1
SCHEMBL4379648 0.82 AKT2 (0.33)
SCHEMBL4384967 0.79 CYSLTR2 (0.33) CYP3A4CYSLTR2CYSLTR1MAPT
SCHEMBL4394318 0.76 SLC6A4 (0.33) HRH3SLC6A4
SCHEMBL9119383 0.72 CYP19A1 (0.43)
SCHEMBL7974933 0.72 TDP1 (0.51) HRH3SLC6A2SLC6A4NPC1MAPT
SCHEMBL7362771 0.71 BACE1 (0.48) HRH3SLC6A4CYP2D6
SCHEMBL7988978 0.71 GBA1 (0.41) HRH4HRH3SLC6A2SLC6A4SLC6A3
SCHEMBL9119464 0.71 CYP19A1 (0.46) HRH3MAPTHTT
SCHEMBL4376567 0.70 LMNA (0.34) HRH3KCNH2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0760811-B1 IMIDAZOLE DERIVATIVES AS HISTAMINE RECEPTOR H3 MODULATORS INST NAT SANTE RECH MED (FR) 2009-11-18 EP disclosed
EP-0760811-A1 IMIDAZOLE DERIVATIVES AS HISTAMINE RECEPTOR H 3? (ANT)AGONISTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1997-03-12 EP disclosed
WO-1996029315-A2 IMIDAZOLE DERIVATIVES AS HISTAMINE RECEPTOR H3 (ANT)AGONISTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 1996-09-26 WO disclosed