SCHEMBL6842373

SCHEMBL6842373

O=C(c1ccc(OCCCC2CCCN2NS(=O)(=O)c2ccc(Br)cc2)cc1)C1CC1

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 18/20 0.59
HRH1 P35367 18/20 0.59
MAOB P27338 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47

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
SCHEMBL6847912 0.92 HRH2 (0.51) HRH2HRH1MAOBHRH3
SCHEMBL6847370 0.91 HRH2 (0.59) HRH2HRH1MAOBHRH3
SCHEMBL6848253 0.91 HRH2 (0.59) HRH2HRH1MAOBHRH3
SCHEMBL6848832 0.91 HRH2 (0.59) HRH2HRH1MAOBHRH3
SCHEMBL6849208 0.91 HRH2 (0.59) HRH2HRH1MAOBHRH3
SCHEMBL6842343 0.91 HRH2 (0.58) HRH2HRH1MAOBHRH3
SCHEMBL6987123 0.90 HRH2 (0.59) HRH2HRH1MAOBHRH3
SCHEMBL7107158 0.89 HRH2 (0.60) HRH2HRH1MAOBHRH3
SCHEMBL6847270 0.88 HRH2 (0.48) HRH2HRH1MAOBHRH3
SCHEMBL6986027 0.88 HRH2 (0.61) HRH2HRH1MAOBHRH3

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