SCHEMBL6846767

SCHEMBL6846767

CC(=O)c1ccc(OCCCC2CCCN2NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.45
HRH2 P25021 2/20 0.44
HRH1 P35367 2/20 0.44
HTR6 P50406 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HDAC3 O15379 2/20 0.41
HDAC4 P56524 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC7 Q8WUI4 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC10 Q969S8 2/20 0.41
HDAC11 Q96DB2 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC9 Q9UKV0 2/20 0.41
HDAC5 Q9UQL6 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
GSK3B P49841 1/20 0.40
CHRM3 P20309 1/20 0.40
DPP4 P27487 3/20 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
SCHEMBL6847270 0.90 HRH2 (0.48) HRH3HRH2HRH1KDM2B
SCHEMBL6847424 0.86 HRH2 (0.59) HRH3HRH2HRH1KDM4EL3MBTL1
SCHEMBL6846776 0.84 HCRTR1 (0.46) HRH3HRH2HRH1HTR6KDM4E
SCHEMBL6846770 0.82 HRH2 (0.46) HRH3HRH2HRH1HDAC3HDAC4
SCHEMBL6842227 0.81 SMN1; SMN2 (0.51) KDM4E
SCHEMBL6846591 0.81 HRH2 (0.50) HRH3HRH2HRH1KCNH2
SCHEMBL6847912 0.81 HRH2 (0.51) HRH3HRH2HRH1L3MBTL1
SCHEMBL7107158 0.80 HRH2 (0.60) HRH3HRH2HRH1
SCHEMBL6848227 0.80 KDM4E (0.46) HRH3HRH2HRH1KDM4EL3MBTL1
SCHEMBL6847370 0.80 HRH2 (0.59) HRH3HRH2HRH1

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