SCHEMBL27769007

SCHEMBL27769007

CCS(=O)(=O)C(c1ccncc1)C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 9/20 0.53
GPR119 Q8TDV5 7/20 0.48
IDO1 P14902 3/20 0.46
MMP1 P03956 3/20 0.46
MMP3 P08254 3/20 0.46
MMP7 P09237 3/20 0.46
MMP9 P14780 3/20 0.46
MMP8 P22894 3/20 0.46
MMP2 P08253 2/20 0.46
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL27769137 0.92 MMP13 (0.51) MMP13GPR119IDO1MMP1MMP3
SCHEMBL4242463 0.82 GPR119 (0.53) MMP13GPR119IDO1NPC1ALDH1A1
SCHEMBL6148439 0.81 MMP13 (0.54) MMP13GPR119IDO1NPC1ALDH1A1
SCHEMBL34461284 0.81 MMP13 (0.54) MMP13GPR119IDO1MMP1MMP3
SCHEMBL4771701 0.81 MMP13 (0.52) MMP13GPR119MMP1MMP3MMP7
SCHEMBL27769045 0.81 MMP13 (0.49) MMP13GPR119IDO1NPC1ALDH1A1
SCHEMBL27747865 0.78 MMP13 (0.49) MMP13GPR119IDO1NPC1ALDH1A1
SCHEMBL387604 0.77 MMP13 (0.48) MMP13GPR119IDO1NPC1ALDH1A1
SCHEMBL5649711 0.77 ALDH1A1 (0.55) MMP13GPR119NPC1ALDH1A1MAPT
SCHEMBL23212010 0.75 GPR119 (0.56) MMP13GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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