SCHEMBL6846531

SCHEMBL6846531

COc1ccc(OC)c(S(=O)(=O)NN2CCCC2CCCOc2ccc(C(=O)C3CC3)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 5/20 0.47
HRH1 P35367 5/20 0.47
STS P08842 1/20 0.45
MAOB P27338 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
MAPT P10636 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL6848158 0.88 HRH2 (0.49) HRH2HRH1MAOBHRH3MAPT
SCHEMBL6849208 0.87 HRH2 (0.59) HRH2HRH1MAOBHRH3NPC1
SCHEMBL6847432 0.83 HRH2 (0.60) HRH2HRH1MAOBHRH3
SCHEMBL6846533 0.83 HRH2 (0.49) HRH2HRH1STSMAPTLMNA
SCHEMBL6847681 0.82 HRH2 (0.59) HRH2HRH1MAOBHRH3
SCHEMBL6847912 0.82 HRH2 (0.51) HRH2HRH1MAOBHRH3
SCHEMBL6848002 0.82 HRH2 (0.60) HRH2HRH1MAOBHRH3
SCHEMBL6847370 0.81 HRH2 (0.59) HRH2HRH1MAOBHRH3
SCHEMBL6842343 0.81 HRH2 (0.58) HRH2HRH1MAOBHRH3
SCHEMBL6986027 0.81 HRH2 (0.61) HRH2HRH1MAOBHRH3MEN1

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-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