SCHEMBL5884514

SCHEMBL5884514

C=CCON=Cc1ccc(OCCCC2CCN(c3ccc(C)nn3)CC2)cc1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.35
GPR119 Q8TDV5 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
KCNH2 Q12809 2/20 0.33
MAPT P10636 2/20 0.33
HRH3 Q9Y5N1 1/20 0.33
HPGD P15428 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
TEAD1 P28347 1/20 0.31
TEAD3 Q99594 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
DRD2 P14416 1/20 0.30
DRD1 P21728 1/20 0.30
DRD5 P21918 1/20 0.30
DRD3 P35462 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
SCHEMBL5884831 0.95 TEAD1 (0.36) NR1I2GPR119L3MBTL1KCNH2MAPT
SCHEMBL5884353 0.92 KCNH2 (0.39) NR1I2GPR119L3MBTL1KCNH2MAPT
SCHEMBL5884860 0.90 NR1I2 (0.36) NR1I2GPR119L3MBTL1KCNH2HRH3
SCHEMBL5884712 0.90 LMNA (0.36) L3MBTL1MAPTHRH3HPGDMEN1
SCHEMBL5884901 0.89 GLS (0.33) TEAD1TEAD3MAOAMAOB
SCHEMBL5884356 0.88 HRH3 (0.38) NR1I2GPR119L3MBTL1MAPTHRH3
SCHEMBL5884333 0.87 KCNH2 (0.39) NR1I2GPR119L3MBTL1KCNH2MAPT
SCHEMBL5884689 0.87 KCNH2 (0.39) NR1I2GPR119L3MBTL1KCNH2MAPT
SCHEMBL14191686 0.86 NR1I2 (0.38) NR1I2GPR119L3MBTL1KCNH2MAPT
SCHEMBL5884917 0.86 TEAD1 (0.35) GPR119L3MBTL1KCNH2MAPTHRH3

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