SCHEMBL6847804

SCHEMBL6847804

N#Cc1ccc(S(=O)(=O)NN2CCCC2CCCOc2ccc(-c3ccccn3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.43
KMT2A Q03164 2/20 0.43
HSD11B1 P28845 1/20 0.42
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP19A1 P11511 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HRH3 Q9Y5N1 8/20 0.39
HRH2 P25021 7/20 0.39
HRH1 P35367 7/20 0.39
CACNA1H O95180 1/20 0.39
CACNA1B Q00975 1/20 0.39
CHRM3 P20309 1/20 0.37

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
SCHEMBL6842164 0.91 HRH1 (0.42) MEN1KMT2ACYP1A2CYP2D6CYP19A1
SCHEMBL6846580 0.90 MMP1 (0.44) MEN1KMT2ACYP1A2CYP2D6CYP19A1
SCHEMBL6848764 0.87 CYP1A2 (0.41) MEN1KMT2ACYP1A2CYP2D6CYP19A1
SCHEMBL6847423 0.84 NPSR1 (0.43) MEN1KMT2ACYP1A2CYP2D6CYP19A1
SCHEMBL6847808 0.83 HSD11B1 (0.42) MEN1KMT2AHSD11B1CYP1A2CYP2D6
SCHEMBL6847424 0.81 HRH2 (0.59) MEN1HRH3HRH2HRH1CACNA1H
SCHEMBL6987123 0.81 HRH2 (0.59) HRH3HRH2HRH1
SCHEMBL6848186 0.80 ALDH1A1 (0.39) KMT2ACYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL5218075 0.80 HRH3 (0.50) MEN1KMT2AHSD11B1HRH3HRH2
SCHEMBL7679438 0.77 HRH3 (0.47) 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