SCHEMBL6848227

SCHEMBL6848227

CC(=O)c1ccc(OCCCC2CCCN2NS(=O)(=O)C(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
HRH3 Q9Y5N1 6/20 0.44
HRH2 P25021 5/20 0.43
HRH1 P35367 5/20 0.43
GAA P10253 2/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL6847794 0.90 HRH2 (0.49) HRH3HRH2HRH1
SCHEMBL6846808 0.81 KDM4E (0.49) KDM4EL3MBTL1HRH3HRH2HRH1
SCHEMBL6847424 0.81 HRH2 (0.59) KDM4EL3MBTL1HRH3HRH2HRH1
SCHEMBL6846767 0.80 HRH3 (0.45) KDM4EL3MBTL1HRH3HRH2HRH1
SCHEMBL6846776 0.80 HCRTR1 (0.46) KDM4EL3MBTL1HRH3HRH2HRH1
SCHEMBL6848230 0.80 HRH2 (0.46) KDM4EL3MBTL1HRH3HRH2HRH1
SCHEMBL6846688 0.80 GPR119 (0.43) KDM4EL3MBTL1HRH3HRH2HRH1
SCHEMBL6842224 0.77 HRH2 (0.58) KDM4EL3MBTL1HRH3HRH2HRH1
SCHEMBL6847817 0.76 HRH2 (0.48) HRH3HRH2HRH1
SCHEMBL5220966 0.76 P2RX7 (0.49) HRH3HRH2HRH1

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