SCHEMBL6848158

SCHEMBL6848158

COc1ccc(S(=O)(=O)NN2CCCC2CCCOc2ccc(C(=O)C3CC3)cc2)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 16/20 0.49
HRH1 P35367 16/20 0.49
MAOB P27338 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
POLB P06746 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
SCHEMBL6849208 0.90 HRH2 (0.59) HRH2HRH1MAOBHRH3POLB
SCHEMBL6846531 0.88 HRH2 (0.47) HRH2HRH1MAOBHRH3MEN1
SCHEMBL6847912 0.88 HRH2 (0.51) HRH2HRH1MAOBHRH3
SCHEMBL6847370 0.87 HRH2 (0.59) HRH2HRH1MAOBHRH3
SCHEMBL6847435 0.86 HRH2 (0.47) HRH2HRH1MAOBHRH3MAPT
SCHEMBL5218123 0.86 HRH2 (0.48) HRH2HRH1MAOBHRH3
SCHEMBL6842145 0.85 HRH2 (0.61) HRH2HRH1MAOBHRH3
SCHEMBL7107158 0.85 HRH2 (0.60) HRH2HRH1MAOBHRH3
SCHEMBL6848832 0.85 HRH2 (0.59) HRH2HRH1MAOBHRH3MAPT
SCHEMBL6842373 0.85 HRH2 (0.59) 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 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