SCHEMBL27769006

SCHEMBL27769006

COc1ccc(Nc2cc(CNCC3CCN(C(=O)OC(C)(C)C)CC3)ncn2)cn1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.45
GPR119 Q8TDV5 2/20 0.44
TGFBR1 P36897 6/20 0.43
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42
TBK1 Q9UHD2 1/20 0.42
PIK3CA P42336 1/20 0.42
PRKDC P78527 1/20 0.42
ALDH1A1 P00352 1/20 0.41
HTR6 P50406 1/20 0.41
SYK P43405 1/20 0.40
MMP13 P45452 1/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40

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
SCHEMBL27734707 0.88 TGFBR1 (0.42) GPR119TGFBR1KDM4EPKMPIK3CA
SCHEMBL27755079 0.87 GPR119 (0.46) GPR119TGFBR1
SCHEMBL27769026 0.85 PIK3CA (0.44) PIK3CDGPR119TGFBR1KDM4EPKM
SCHEMBL27755184 0.84 GPR119 (0.58) GPR119TGFBR1
SCHEMBL27734735 0.83 KDM4E (0.42) GPR119TGFBR1KDM4EPKMSYK
SCHEMBL388397 0.83 GPR119 (0.46) PIK3CDGPR119TGFBR1TBK1PIK3CA
SCHEMBL1067975 0.83 TGFBR1 (0.42) GPR119TGFBR1KDM4EPKMALDH1A1
SCHEMBL391248 0.82 GPR119 (0.53) PIK3CDGPR119TBK1ALDH1A1
SCHEMBL27755009 0.81 GPR119 (0.47) GPR119KDM4EPKMPIK3CAPRKDC
SCHEMBL27734896 0.80 KDM4E (0.48) GPR119TGFBR1KDM4EPKMHTR6

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