SCHEMBL6847907

SCHEMBL6847907

O=C(c1ccc(OCCCC2CCCN2NS(=O)(=O)c2cccc3cccnc23)cc1)C1CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.46
TSHR P16473 1/20 0.46
FABP1 P07148 1/20 0.45
ALDH1A1 P00352 4/20 0.44
HRH2 P25021 5/20 0.43
HRH1 P35367 5/20 0.43
GAA P10253 2/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 3/20 0.42
POLB P06746 1/20 0.42
RECQL P46063 1/20 0.42
MAOB P27338 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
PKM P14618 1/20 0.42
PKLR P30613 1/20 0.42

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
SCHEMBL6848006 0.86 HRH2 (0.42) HRH2HRH1MAOBHRH3
SCHEMBL6847681 0.85 HRH2 (0.59) HRH2HRH1MAOBHRH3
SCHEMBL6842207 0.84 HRH2 (0.61) HRH2HRH1MAOBHRH3
SCHEMBL6847432 0.84 HRH2 (0.60) HRH2HRH1MAOBHRH3
SCHEMBL6848002 0.84 HRH2 (0.60) HRH2HRH1MAOBHRH3
SCHEMBL6847911 0.84 HPGD (0.46) HPGDTSHRFABP1ALDH1A1HRH2
SCHEMBL6842343 0.82 HRH2 (0.58) HRH2HRH1MAOBHRH3
SCHEMBL5213823 0.80 HRH2 (0.51) HPGDTSHRFABP1ALDH1A1HRH2
SCHEMBL6848817 0.80 HRH2 (0.46) HRH2HRH1MAOBHRH3
SCHEMBL6847492 0.79 HRH3 (0.46) 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