SCHEMBL6847427

SCHEMBL6847427

CC(=O)c1ccc(OCCC[C@@H]2CCN(NS(=O)(=O)c3ccc(C#N)cc3)C2)cc1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 10/20 0.62
HRH1 P35367 10/20 0.62
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
HRH3 Q9Y5N1 2/20 0.44
GPR119 Q8TDV5 2/20 0.43
RAB9A P51151 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
SCHEMBL6987125 0.91 HRH2 (0.62) HRH2HRH1HRH3
SCHEMBL6985870 0.89 HRH2 (0.47) HRH2HRH1HRH3
SCHEMBL6842225 0.87 HRH2 (0.59) HRH2HRH1ALDH1A1MAPTHRH3
SCHEMBL6846770 0.86 HRH2 (0.46) HRH2HRH1HRH3GPR119RAB9A
SCHEMBL6987337 0.86 HRH2 (0.45) HRH2HRH1ALDH1A1HRH3
SCHEMBL6847679 0.86 GPR119 (0.48) HRH2HRH1HRH3GPR119
SCHEMBL6846779 0.85 HRH2 (0.44) HRH2HRH1HRH3GPR119RAB9A
SCHEMBL6987544 0.84 HRH2 (0.43) HRH2HRH1HRH3
SCHEMBL6981316 0.84 HRH2 (0.44) HRH2HRH1HRH3
SCHEMBL6848079 0.84 HRH2 (0.44) HRH2HRH1HRH3

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