SCHEMBL6846694

SCHEMBL6846694

O=C(c1ccc(OCCCC2CCCN2NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1)C1CC1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 11/20 0.49
HRH1 P35367 11/20 0.49
HRH3 Q9Y5N1 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAOB P27338 1/20 0.42
LMNA P02545 1/20 0.41
HSD11B1 P28845 1/20 0.41
MGLL Q99685 1/20 0.41
HTR1A P08908 1/20 0.41
HTR7 P34969 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
SCHEMBL6847550 0.93 HRH3 (0.44) HRH2HRH1HRH3MAOB
SCHEMBL6846591 0.90 HRH2 (0.50) HRH2HRH1HRH3MAOB
SCHEMBL6842220 0.89 HRH2 (0.61) HRH2HRH1HRH3MAOB
SCHEMBL6848752 0.87 HRH2 (0.61) HRH2HRH1HRH3MAOBHTR1A
SCHEMBL6842145 0.87 HRH2 (0.61) HRH2HRH1HRH3MAOB
SCHEMBL6842343 0.87 HRH2 (0.58) HRH2HRH1HRH3MAOB
SCHEMBL6842182 0.87 HRH2 (0.62) HRH2HRH1HRH3MAOB
SCHEMBL6847270 0.85 HRH2 (0.48) HRH2HRH1HRH3MAOBHSD11B1
SCHEMBL6848253 0.84 HRH2 (0.59) HRH2HRH1HRH3MAOBHTR7
SCHEMBL6846699 0.84 HRH2 (0.51) HRH2HRH1HRH3LMNAHSD11B1

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 2 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