SCHEMBL4649485

SCHEMBL4649485

CC1(C)CCCN(CCCOc2ccc(C3(O)CC[N+](C(=O)[O-])(C(C)(C)C)CC3)cc2)C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.55
HRH3 Q9Y5N1 11/20 0.51
HRH1 P35367 3/20 0.42
HTR1A P08908 1/20 0.42
DRD2 P14416 1/20 0.42
DRD1 P21728 1/20 0.42
DRD5 P21918 1/20 0.42
SLC6A2 P23975 1/20 0.42
HTR2A P28223 1/20 0.42
SLC6A4 P31645 1/20 0.42
HTR7 P34969 1/20 0.42
DRD3 P35462 1/20 0.42
HTR2B P41595 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 1/20 0.42
HRH2 P25021 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL12376852 0.81 HRH3 (0.62) MAOBHRH3HRH1HTR1ADRD2
SCHEMBL2284753 0.79 MAOB (0.57) MAOBHRH3HRH1HTR1ADRD2
SCHEMBL14495446 0.75 MAOB (0.70) MAOBHRH3DRD2SLC6A4MEN1
SCHEMBL2284757 0.75 MAOB (0.53) MAOBHRH3HRH1HTR1ADRD2
SCHEMBL4649475 0.74 HRH3 (0.51) MAOBHRH3HRH1HTR1ADRD2
SCHEMBL2280615 0.72 MAOB (0.72) MAOBHRH3DRD2MEN1KMT2A
SCHEMBL4094104 0.69 HRH3 (1.00) HRH3HRH1HTR1ADRD2DRD1
SCHEMBL4670214 0.69 HRH3 (0.66) HRH3HRH1HTR1ADRD2DRD1
SCHEMBL4596832 0.68 MAOB (0.63) MAOBHRH3HRH1DRD2HRH2
SCHEMBL13437934 0.66 MAOB (0.60) MAOBHRH3HRH1HTR1ADRD2

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