SCHEMBL5133750

SCHEMBL5133750

N#Cc1nccc2cc(-c3nc(COC4CCNCC4)no3)oc12

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NMT1 P30419 15/20 0.36
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
KCNH2 Q12809 1/20 0.34
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR7 P34969 1/20 0.33
HTR2B P41595 1/20 0.33
HTR3A P46098 1/20 0.33
HTR4 Q13639 1/20 0.33

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
SCHEMBL4521480 0.77 ALDH1A1 (0.43) NMT1SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL4170922 0.75 NMT1 (0.40) NMT1
SCHEMBL4163141 0.72 CHEK1 (0.34) NMT1SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL1069804 0.71 GPR119 (0.33)
Tert-Butyl Formate SCHEMBL28766881 0.70 TLR9 (0.38) NMT1
SCHEMBL27939043 0.69 TLR9 (0.37) NMT1KCNH2
Formic Acid Phenyl Ester SCHEMBL27657419 0.69 MAOB (0.39) NMT1
SCHEMBL389991 0.68 GPR119 (0.47)
SCHEMBL13186626 0.66 NMT1 (0.40) NMT1
SCHEMBL14640649 0.65 USP7 (0.43) NMT1

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