SCHEMBL6848832

SCHEMBL6848832

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

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 17/20 0.59
HRH1 P35367 17/20 0.59
MAOB P27338 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
HTR7 P34969 1/20 0.43
ADRA1B P35368 1/20 0.43
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL6847912 0.92 HRH2 (0.51) HRH2HRH1MAOBHRH3L3MBTL1
SCHEMBL6842373 0.91 HRH2 (0.59) HRH2HRH1MAOBHRH3
SCHEMBL6847370 0.91 HRH2 (0.59) HRH2HRH1MAOBHRH3
SCHEMBL6849208 0.91 HRH2 (0.59) HRH2HRH1MAOBHRH3
SCHEMBL6848253 0.91 HRH2 (0.59) HRH2HRH1MAOBHRH3HTR7
SCHEMBL6842343 0.91 HRH2 (0.58) HRH2HRH1MAOBHRH3
SCHEMBL5218123 0.90 HRH2 (0.48) HRH2HRH1MAOBHRH3
SCHEMBL6847817 0.90 HRH2 (0.48) HRH2HRH1MAOBHRH3
SCHEMBL6987123 0.90 HRH2 (0.59) HRH2HRH1MAOBHRH3
SCHEMBL6847505 0.90 HRH2 (0.48) HRH2HRH1MAOBHRH3HTR7

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