SCHEMBL6847424

SCHEMBL6847424

CC(=O)c1ccc(OCCCC2CCCN2NS(=O)(=O)c2ccc(C#N)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 7/20 0.59
HRH1 P35367 7/20 0.59
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
HRH3 Q9Y5N1 3/20 0.46
KDM4E B2RXH2 1/20 0.41
PTGER4 P35408 2/20 0.40
MEN1 O00255 1/20 0.40
CACNA1H O95180 1/20 0.39
CACNA1B Q00975 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL6987123 0.91 HRH2 (0.59) HRH2HRH1HRH3
SCHEMBL6842224 0.88 HRH2 (0.58) HRH2HRH1ALDH1A1MAPTHRH3
SCHEMBL6846767 0.86 HRH3 (0.45) HRH2HRH1HRH3KDM4EL3MBTL1
SCHEMBL6846776 0.85 HCRTR1 (0.46) HRH2HRH1ALDH1A1HRH3KDM4E
SCHEMBL6847912 0.83 HRH2 (0.51) HRH2HRH1HRH3L3MBTL1
SCHEMBL6847370 0.83 HRH2 (0.59) HRH2HRH1HRH3
SCHEMBL6849208 0.83 HRH2 (0.59) HRH2HRH1HRH3
SCHEMBL6847427 0.82 HRH2 (0.62) HRH2HRH1ALDH1A1MAPTHRH3
SCHEMBL7107158 0.81 HRH2 (0.60) HRH2HRH1HRH3
SCHEMBL6848227 0.81 KDM4E (0.46) HRH2HRH1ALDH1A1HRH3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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