SCHEMBL6842224

SCHEMBL6842224

CC(=O)c1ccc(OCCCC2CCCN2NC(=O)c2ccc(C#N)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 6/20 0.58
HRH1 P35367 6/20 0.58
ALDH1A1 P00352 1/20 0.55
MAPT P10636 1/20 0.55
KDM4E B2RXH2 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
HRH3 Q9Y5N1 4/20 0.43
PTGER4 P35408 2/20 0.43
GAA P10253 2/20 0.43
CHRM3 P20309 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
DPP4 P27487 1/20 0.41

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
SCHEMBL6847424 0.88 HRH2 (0.59) HRH2HRH1ALDH1A1MAPTKDM4E
SCHEMBL6846808 0.82 KDM4E (0.49) HRH2HRH1ALDH1A1KDM4EL3MBTL1
SCHEMBL6846632 0.82 HRH2 (0.60) HRH2HRH1MAPTKDM4EHRH3
SCHEMBL6842225 0.81 HRH2 (0.59) HRH2HRH1ALDH1A1MAPTL3MBTL1
SCHEMBL6987123 0.78 HRH2 (0.59) HRH2HRH1HRH3
SCHEMBL5214617 0.77 HRH2 (0.67) HRH2HRH1ALDH1A1MAPTKDM4E
SCHEMBL6848227 0.77 KDM4E (0.46) HRH2HRH1ALDH1A1KDM4EL3MBTL1
SCHEMBL6846776 0.74 HCRTR1 (0.46) HRH2HRH1ALDH1A1KDM4EL3MBTL1
SCHEMBL6846767 0.74 HRH3 (0.45) HRH2HRH1KDM4EL3MBTL1HRH3
SCHEMBL2816619 0.74 ALDH1A1 (0.88) HRH2HRH1ALDH1A1MAPTL3MBTL1

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