SCHEMBL5884917

SCHEMBL5884917

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

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TEAD1 P28347 1/20 0.35
TEAD3 Q99594 1/20 0.35
HRH3 Q9Y5N1 2/20 0.33
GPR119 Q8TDV5 2/20 0.33
LCAT P04180 1/20 0.32
POLB P06746 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAOB P27338 1/20 0.32
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
KCNH2 Q12809 2/20 0.31
MAPT P10636 1/20 0.31
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31
HPGD P15428 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
CHRM4 P08173 1/20 0.30
ACACB O00763 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
SCHEMBL5885023 0.92 KCNH2 (0.37) TEAD1TEAD3HRH3GPR119LCAT
SCHEMBL5884831 0.91 TEAD1 (0.36) TEAD1TEAD3GPR119KCNH2MAPT
SCHEMBL5884258 0.88 LMNA (0.36) TEAD1TEAD3SMN1; SMN2MAPTL3MBTL1
SCHEMBL5884514 0.86 NR1I2 (0.35) TEAD1TEAD3HRH3GPR119MAOB
SCHEMBL5884712 0.84 LMNA (0.36) HRH3SMN1; SMN2MAPTHPGDL3MBTL1
SCHEMBL5884736 0.82 SMN1; SMN2 (0.35) GPR119SMN1; SMN2KCNH2MAPTBCHE
SCHEMBL5884689 0.82 KCNH2 (0.39) TEAD1TEAD3GPR119SMN1; SMN2KCNH2
SCHEMBL5884333 0.82 KCNH2 (0.39) TEAD1TEAD3GPR119SMN1; SMN2KCNH2
SCHEMBL14191686 0.82 NR1I2 (0.38) TEAD1TEAD3GPR119KCNH2MAPT
SCHEMBL5884133 0.80 NR1I2 (0.36) TEAD1TEAD3GPR119KCNH2MAPT

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