SCHEMBL3454833

SCHEMBL3454833

CC(C)(C)OC(=O)N1C=C(c2ccc(N3CCOCC3)cc2)C=CC1C1CCNCC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 8/20 0.48
USP30 Q70CQ3 2/20 0.37
TGFBR1 P36897 1/20 0.36
KDM4E B2RXH2 2/20 0.35
PIK3CA P42336 1/20 0.35
MTOR P42345 1/20 0.35
PIK3CG P48736 1/20 0.35
ATR Q13535 1/20 0.35
AURKB Q96GD4 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TBK1 Q9UHD2 2/20 0.35
IDH1 O75874 1/20 0.35

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
SCHEMBL3456238 0.80 GPR119 (0.35) GPR119
SCHEMBL3067369 0.78 MAPT (0.34) KDM4EALDH1A1
SCHEMBL3073015 0.74 GPR119 (0.33) GPR119KDM4E
SCHEMBL4242556 0.74 MEN1 (0.35) GPR119KDM4E
SCHEMBL3454830 0.69 GPR119 (0.46) GPR119USP30TGFBR1PIK3CAMTOR
SCHEMBL14157779 0.65 GPR119 (0.54) GPR119KDM4EALDH1A1
SCHEMBL15507106 0.65 GPR119 (1.00) GPR119
SCHEMBL30366165 0.64 GPR119 (0.56) GPR119ALDH1A1
SCHEMBL23410150 0.63 GPR119 (0.61) GPR119USP30TGFBR1
SCHEMBL22324934 0.63 GPR119 (0.55) GPR119ALDH1A1

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-2166850-A1 NEW HETEOCYCLIC H3 ANTAGONISTS High Point Pharmaceuticals, LLC (US) 2010-03-31 EP disclosed
WO-2008154126-A1 NEW HETEOCYCLIC H3 ANTAGONISTS HIGH POINT PHARMACEUTICALS, LLC (US) 2008-12-18 WO disclosed