SCHEMBL5884782

SCHEMBL5884782

C#CCON=Cc1ccc(OCCC2CCN(c3ccc(C)nn3)CC2)cc1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.35
GPR119 Q8TDV5 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KCNH2 Q12809 1/20 0.32
DCTPP1 Q9H773 1/20 0.32
TEAD1 P28347 1/20 0.31
TEAD3 Q99594 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 4/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ACACB O00763 1/20 0.31
CTSS P25774 1/20 0.30
NFE2L2 Q16236 1/20 0.30
CA12 O43570 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL14191686 0.90 NR1I2 (0.38) NR1I2GPR119L3MBTL1KCNH2TEAD1
SCHEMBL5884689 0.89 KCNH2 (0.39) NR1I2GPR119L3MBTL1KCNH2TEAD1
SCHEMBL5884333 0.89 KCNH2 (0.39) NR1I2GPR119L3MBTL1KCNH2TEAD1
SCHEMBL5884287 0.88 L3MBTL1 (0.37) NR1I2GPR119L3MBTL1KCNH2TEAD1
SCHEMBL5884133 0.87 NR1I2 (0.36) NR1I2GPR119L3MBTL1KCNH2TEAD1
SCHEMBL5884829 0.87 L3MBTL1 (0.36) NR1I2GPR119L3MBTL1KCNH2TEAD1
SCHEMBL5884362 0.86 NR1I2 (0.38) NR1I2GPR119L3MBTL1TEAD1TEAD3
SCHEMBL5884227 0.86 NR1I2 (0.35) NR1I2GPR119L3MBTL1KCNH2TEAD1
SCHEMBL5884831 0.86 TEAD1 (0.36) NR1I2GPR119L3MBTL1KCNH2TEAD1
SCHEMBL5884353 0.84 KCNH2 (0.39) NR1I2GPR119L3MBTL1KCNH2MAPT

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
US-7078403-B1 Antiviral agents BIOTA SCIENTIFIC MANAGEMENT PTY LTD. (AU) 2006-07-18 US claimed