SCHEMBL4649475

SCHEMBL4649475

CC(C)COC(=O)N1CCC(O)(c2ccc(OCCCN3CCCC(C)(C)C3)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.51
HRH1 P35367 10/20 0.51
HRH2 P25021 8/20 0.51
MAOB P27338 1/20 0.50
HTR1A P08908 1/20 0.44
DRD2 P14416 1/20 0.44
DRD1 P21728 1/20 0.44
DRD5 P21918 1/20 0.44
SLC6A2 P23975 1/20 0.44
HTR2A P28223 1/20 0.44
SLC6A4 P31645 1/20 0.44
HTR7 P34969 1/20 0.44
DRD3 P35462 1/20 0.44
HTR2B P41595 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL5742310 0.91 HRH3 (0.64) HRH3HRH1HRH2HTR1ADRD2
SCHEMBL2284753 0.85 MAOB (0.57) HRH3HRH1MAOBHTR1ADRD2
SCHEMBL12376852 0.83 HRH3 (0.62) HRH3HRH1HRH2MAOBHTR1A
SCHEMBL5740632 0.75 CCR1 (0.50) MAOBMEN1ALDH1A1LMNAKMT2A
SCHEMBL4670214 0.75 HRH3 (0.66) HRH3HRH1HTR1ADRD2DRD1
SCHEMBL4649485 0.74 MAOB (0.55) HRH3HRH1HRH2MAOBHTR1A
SCHEMBL2284757 0.73 MAOB (0.53) HRH3HRH1MAOBHTR1ADRD2
SCHEMBL3911399 0.73 HRH1 (0.63) HRH3HRH1HRH2HTR2AHTR7
SCHEMBL14495446 0.73 MAOB (0.70) HRH3MAOBDRD2SLC6A4MEN1
SCHEMBL2280615 0.72 MAOB (0.72) HRH3MAOBDRD2MEN1KMT2A

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-1963307-A1 3- (4- { [4-(4-{ [3-(3, 3-DIMETHYL-1-PIPERIDINYL) PROPYL[0XY] PHENYL) -1-PIPERIDINYL CARBONYL }-1-NAPHTHALENYL) PROPANOIC OR PROPENOIC ACID AS H1 AND H3 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY AND/OR ALLERGIC DISORDERS GLAXO GROUP LIMITED (GB) 2008-09-03 EP disclosed
WO-2007071691-A1 3- (4-{ [4-(4-{ [3-(3, 3-DIMETHYL-1-PIPERIDINYL) PROPYL] 0XY} PHENYL) -1-PIPERIDINYL] CARBONYL }-1-NAPHTHALENYL) PROPANOIC OR PROPENOIC ACID AS H1 AND H3 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY AND/OR ALLERGIC DISORDERS GLAXO GROUP LIMITED (GB) 2007-06-28 WO disclosed