SCHEMBL6842166

SCHEMBL6842166

N#Cc1cccc(S(=O)(=O)NN2CC[C@@H](CCCOc3ccc(-c4ccccn4)cc3)C2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.44
HRH2 P25021 1/20 0.44
KCNQ1 P51787 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP19A1 P11511 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
SCN9A Q15858 4/20 0.38
PGR P06401 1/20 0.37
MEN1 O00255 5/20 0.36
KMT2A Q03164 1/20 0.36
GLO1 Q04760 1/20 0.36
SLC40A1 Q9NP59 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
CCR3 P51677 1/20 0.36
KDM1A O60341 1/20 0.35
MAOA P21397 1/20 0.35

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
SCHEMBL6847808 0.91 HSD11B1 (0.42) HRH1HRH2CYP1A2CYP2D6CYP19A1
SCHEMBL6846583 0.84 MMP1 (0.44) HRH1HRH2CYP1A2CYP2D6CYP19A1
SCHEMBL6847426 0.84 ADRA1A (0.44) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL6842164 0.84 HRH1 (0.42) HRH1HRH2KCNQ1CYP1A2CYP2D6
SCHEMBL6981316 0.83 HRH2 (0.44) HRH1HRH2HRH3
SCHEMBL6842184 0.83 HRH2 (0.64) HRH1HRH2HRH3
SCHEMBL6848767 0.82 CYP1A2 (0.41) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL6842485 0.82 HRH2 (0.45) HRH1HRH2MEN1KMT2AHRH3
SCHEMBL6985870 0.80 HRH2 (0.47) HRH1HRH2HRH3
SCHEMBL6848187 0.80 ALDH1A1 (0.43) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19

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 6 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
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