SCHEMBL5048693

SCHEMBL5048693

c1cc(CCOCCC2CCNCC2)ccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.41
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRM3 P20309 1/20 0.38
CHRNA4 P43681 1/20 0.38
GBA1 P04062 1/20 0.37
PIM1 P11309 1/20 0.36
NMT1 P30419 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HIF1A Q16665 1/20 0.35
SLC6A4 P31645 1/20 0.35
ROCK1 Q13464 1/20 0.34
LOXL2 Q9Y4K0 1/20 0.34

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
SCHEMBL27119114 0.86 CHRM2 (0.45) HRH3ITGB3ITGA2BCHRM2CHRM1
SCHEMBL3361589 0.84 GBA1 (0.54) HRH3ITGB3ITGA2BGBA1SLC6A4
SCHEMBL4708456 0.84 HRH3 (0.51) HRH3ITGB3ITGA2BGBA1CYP2D6
SCHEMBL4325779 0.81 HRH3 (0.54) HRH3ITGB3ITGA2BGBA1NMT1
SCHEMBL3681167 0.80 HRH3 (0.49) HRH3ITGB3ITGA2BGBA1NMT1
SCHEMBL12735855 0.77 MEN1 (0.59) HRH3ITGB3ITGA2BGBA1MEN1
SCHEMBL6007690 0.76 LOXL2 (0.54) HRH3CYP1A2CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL1532763 0.76 MEN1 (0.57) HRH3ITGB3ITGA2BGBA1MEN1
SCHEMBL2109582 0.73 GBA1 (0.66) HRH3GBA1CYP2D6SLC6A4
SCHEMBL2187731 0.72 CHRM2 (0.67) CHRM2CHRM1CHRNB2CHRM3CHRNA4

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-2004157-A2 USE OF GPR119 RECEPTOR AGONISTS FOR INCREASING BONE MASS AND FOR TREATING OSTEOPOROSIS, AS WELL AS COMBINATION THERAPY RELATING THERETO Arena Pharmaceuticals, Inc. (US) 2008-12-24 EP disclosed
WO-2007120702-A2 USE OF GPR119 RECEPTOR AGONISTS FOR INCREASING BONE MASS AND FOR TREATING OSTEOPOROSIS, AND COMBINATION THERAPY RELATING THERETO ARENA PHARMACEUTICALS, INC. (US) 2007-10-25 WO disclosed