SCHEMBL3454830

SCHEMBL3454830

CC(C)(C)OC(=O)N1CC(c2ccc(N3CCOCC3)cc2)=CC=C1C1CCNCC1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 8/20 0.46
IDH1 O75874 1/20 0.38
USP30 Q70CQ3 1/20 0.38
LMNA P02545 1/20 0.36
TGFBR1 P36897 1/20 0.36
PIK3CA P42336 2/20 0.36
MTOR P42345 2/20 0.36
TBK1 Q9UHD2 3/20 0.35
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 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
SCHEMBL3456235 0.80 GPR119 (0.36) GPR119
SCHEMBL3067368 0.76 ALDH1A1 (0.35) TGFBR1
SCHEMBL4242555 0.74 PLAT (0.35) GPR119
SCHEMBL3073012 0.74 PLAT (0.35) GPR119
SCHEMBL3454833 0.69 GPR119 (0.48) GPR119IDH1USP30TGFBR1PIK3CA
SCHEMBL30366165 0.69 GPR119 (0.56) GPR119LMNADDB1CRBN
SCHEMBL22324934 0.68 GPR119 (0.55) GPR119LMNA
SCHEMBL3455672 0.67 LRRK2 (0.39) PIK3CATBK1DDB1CRBN
SCHEMBL23410150 0.66 GPR119 (0.61) GPR119USP30LMNATGFBR1
SCHEMBL10162809 0.66 GPR119 (0.58) GPR119USP30LMNATGFBR1

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