SCHEMBL6846699

SCHEMBL6846699

O=C(c1ccc(OCCC[C@@H]2CCN(NS(=O)(=O)c3cccc(C(F)(F)F)c3)C2)cc1)C1CC1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 14/20 0.51
HRH1 P35367 14/20 0.51
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
ALOX15 P16050 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HRH3 Q9Y5N1 1/20 0.41
LMNA P02545 1/20 0.41
HSD11B1 P28845 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
SCHEMBL6847553 0.93 HRH2 (0.46) HRH2HRH1HRH3
SCHEMBL6846594 0.90 HRH2 (0.52) HRH2HRH1HRH3
SCHEMBL6842221 0.89 HRH2 (0.63) HRH2HRH1HRH3
SCHEMBL6848755 0.87 HRH2 (0.63) HRH2HRH1
SCHEMBL6842148 0.87 HRH2 (0.63) HRH2HRH1HRH3
SCHEMBL6842344 0.87 HRH2 (0.60) HRH2HRH1HRH3
SCHEMBL6842184 0.87 HRH2 (0.64) HRH2HRH1HRH3
SCHEMBL6847272 0.85 HRH2 (0.50) HRH2HRH1HRH3HSD11B1
SCHEMBL6983618 0.84 HRH2 (0.61) HRH2HRH1HRH3
SCHEMBL6846694 0.84 HRH2 (0.49) 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