SCHEMBL1067975

SCHEMBL1067975

CC(C)Sc1ccc(Nc2cc(CNCC3CCN(C(=O)OC(C)(C)C)CC3)ncn2)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 12/20 0.42
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42
GPR119 Q8TDV5 3/20 0.41
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SYK P43405 1/20 0.40
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 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
SCHEMBL27734735 0.89 KDM4E (0.42) TGFBR1KDM4EPKMGPR119SYK
SCHEMBL27755184 0.85 GPR119 (0.58) TGFBR1GPR119
SCHEMBL391745 0.83 TBK1 (0.45) TGFBR1GPR119NPC1ALDH1A1MAPT
SCHEMBL27769006 0.83 PIK3CD (0.45) TGFBR1KDM4EPKMGPR119ALDH1A1
SCHEMBL27734707 0.82 TGFBR1 (0.42) TGFBR1KDM4EPKMGPR119MAPT
SCHEMBL390829 0.81 GPR119 (0.48) GPR119NPC1ALDH1A1MAPTMAPK1
SCHEMBL27755079 0.81 GPR119 (0.46) TGFBR1GPR119
SCHEMBL27734896 0.79 KDM4E (0.48) TGFBR1KDM4EPKMGPR119MAPT
SCHEMBL27755009 0.78 GPR119 (0.47) KDM4EPKMGPR119
SCHEMBL27755016 0.78 GPR119 (0.45) TGFBR1KDM4EPKMGPR119

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2004157-B1 USE OF GPR119 RECEPTOR AGONISTS FOR INCREASING BONE MASS AND FOR TREATING OSTEOPOROSIS, AS WELL AS COMBINATION THERAPY RELATING THERETO ARENA PHARM INC (US) 2011-01-12 EP disclosed
CN-101420941-A Use of GPR119 receptor agonists for increasing bone mass and for treating osteoporosis, and related combination therapies ARENA PHARM INC (US) 2009-04-29 CN disclosed
CN-101332303-A Combination therapy for the treatment of diabetes and conditions related thereto and for the treatment of conditions ameliorated by increasing a blood glp-1 level ARENA PHARM INC (US) 2008-12-31 CN disclosed