SCHEMBL6847681

SCHEMBL6847681

O=C(c1ccc(OCCCC2CCCN2NS(=O)(=O)c2ccccc2Cl)cc1)C1CC1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 16/20 0.59
HRH1 P35367 16/20 0.59
HRH3 Q9Y5N1 3/20 0.46
MAOB P27338 1/20 0.46
HTR1A P08908 1/20 0.43
HTR7 P34969 1/20 0.43

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
SCHEMBL6848002 0.90 HRH2 (0.60) HRH2HRH1HRH3MAOB
SCHEMBL6847432 0.90 HRH2 (0.60) HRH2HRH1HRH3MAOB
SCHEMBL6842207 0.89 HRH2 (0.61) HRH2HRH1HRH3MAOB
SCHEMBL6842343 0.88 HRH2 (0.58) HRH2HRH1HRH3MAOB
SCHEMBL6848817 0.86 HRH2 (0.46) HRH2HRH1HRH3MAOB
SCHEMBL6848832 0.86 HRH2 (0.59) HRH2HRH1HRH3MAOBHTR7
SCHEMBL5218123 0.86 HRH2 (0.48) HRH2HRH1HRH3MAOB
SCHEMBL6848752 0.85 HRH2 (0.61) HRH2HRH1HRH3MAOBHTR1A
SCHEMBL6847907 0.85 HPGD (0.46) HRH2HRH1HRH3MAOB
SCHEMBL6847435 0.84 HRH2 (0.47) HRH2HRH1HRH3MAOB

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-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