SCHEMBL6846776

SCHEMBL6846776

CC(=O)c1ccc(OCCCC2CCCN2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 3/20 0.46
HRH3 Q9Y5N1 3/20 0.43
HRH2 P25021 2/20 0.42
HRH1 P35367 2/20 0.42
HCRTR2 O43614 2/20 0.42
KDM4E B2RXH2 2/20 0.41
RAB9A P51151 1/20 0.40
BCL2L1 Q07817 1/20 0.40
MCL1 Q07820 1/20 0.40
UTS2R Q9UKP6 2/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MMP1 P03956 1/20 0.39
MMP9 P14780 1/20 0.39
MMP13 P45452 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTR7 P34969 2/20 0.38
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
HTR1D P28221 1/20 0.38

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
SCHEMBL5218123 0.90 HRH2 (0.48) HCRTR1HRH3HRH2HRH1HCRTR2
SCHEMBL6847435 0.85 HRH2 (0.47) HRH3HRH2HRH1
SCHEMBL6847424 0.85 HRH2 (0.59) HRH3HRH2HRH1KDM4EALDH1A1
SCHEMBL6846767 0.84 HRH3 (0.45) HRH3HRH2HRH1KDM4EL3MBTL1
SCHEMBL6847232 0.83 HRH2 (0.44) HRH3HRH2HRH1ALDH1A1
SCHEMBL6847505 0.83 HRH2 (0.48) HCRTR1HRH3HRH2HRH1HCRTR2
SCHEMBL6846779 0.82 HRH2 (0.44) HCRTR1HRH3HRH2HRH1RAB9A
SCHEMBL6842227 0.81 SMN1; SMN2 (0.51) KDM4EALDH1A1SMN1; SMN2
SCHEMBL6848227 0.80 KDM4E (0.46) HRH3HRH2HRH1KDM4EALDH1A1
SCHEMBL6848832 0.80 HRH2 (0.59) HRH3HRH2HRH1L3MBTL1HTR7

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