SCHEMBL6848006

SCHEMBL6848006

O=C(c1ccc(OCCCC2CCCN2NS(=O)(=O)c2cccc3ccncc23)cc1)C1CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 14/20 0.42
HRH1 P35367 14/20 0.42
HRH3 Q9Y5N1 4/20 0.42
MAOB P27338 2/20 0.40
NPC1 O15118 1/20 0.38
BCHE P06276 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2C P18825 1/20 0.38
MAOA P21397 1/20 0.38
ACHE P22303 1/20 0.38
RAB9A P51151 1/20 0.38
HRH4 Q9H3N8 1/20 0.38
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37

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
SCHEMBL6847907 0.86 HPGD (0.46) HRH2HRH1HRH3MAOB
SCHEMBL5220966 0.85 P2RX7 (0.49) HRH2HRH1HRH3
SCHEMBL6848007 0.84 HRH2 (0.43) HRH2HRH1HRH3
SCHEMBL6847681 0.83 HRH2 (0.59) HRH2HRH1HRH3MAOB
SCHEMBL6842207 0.82 HRH2 (0.61) HRH2HRH1HRH3MAOB
SCHEMBL6847432 0.82 HRH2 (0.60) HRH2HRH1HRH3MAOB
SCHEMBL6848002 0.82 HRH2 (0.60) HRH2HRH1HRH3MAOB
SCHEMBL5217442 0.81 HRH2 (0.49) HRH2HRH1HRH3MAOB
SCHEMBL6842343 0.80 HRH2 (0.58) HRH2HRH1HRH3MAOB
SCHEMBL6848817 0.78 HRH2 (0.46) HRH2HRH1HRH3MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1301480-A1 1,3-DISUBSTITUTED AND 1,3,3-TRISUBSTITUTED PYRROLIDINES AS HISTAMINE-3 RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS ABBOTT LABORATORIES (US) 2003-04-16 EP claimed
WO-2002006223-A1 1,3-DISUBSTITUTED AND 1,3,3-TRISUBSTITUTED PYRROLIDINES AS HISTAMINE-3 RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS ABBOTT LABORATORIES (US) 2002-01-24 WO claimed
EP-1467727-A1 1,3-DISUBSTITUTED AND 1,3,3,-TRISUBSTITUTED PYRROLIDINES AS HISTAMINE-3 RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS Abbott Laboratories (US) 2004-10-20 EP disclosed
WO-2003059341-A1 1,3-DISUBSTITUTED AND 1,3,3,-TRISUBSTITUTED PYRROLIDINES AS HISTAMINE-3 RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS ABBOTT LABORATORIES (US) 2003-07-24 WO disclosed
EP-1301480-A1 1,3-DISUBSTITUTED AND 1,3,3-TRISUBSTITUTED PYRROLIDINES AS HISTAMINE-3 RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS ABBOTT LABORATORIES (US) 2003-04-16 EP disclosed
WO-2002006223-A1 1,3-DISUBSTITUTED AND 1,3,3-TRISUBSTITUTED PYRROLIDINES AS HISTAMINE-3 RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS ABBOTT LABORATORIES (US) 2002-01-24 WO disclosed