SCHEMBL5884736

SCHEMBL5884736

CCON=Cc1ccc(OCCC2CCN(c3ccc(OCC(F)(F)F)nn3)CC2)cc1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.35
KCNH2 Q12809 5/20 0.35
GPR119 Q8TDV5 3/20 0.34
SLC2A1 P11166 1/20 0.33
MAPT P10636 1/20 0.32
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
AR P10275 2/20 0.32
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CACNA2D1 P54289 1/20 0.31
CACNA2D2 Q9NY47 1/20 0.31
BRD4 O60885 3/20 0.31

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 0.90 KCNH2 (0.37) SMN1; SMN2KCNH2GPR119MAPTBCHE
SCHEMBL5884360 0.88 MAPT (0.36) KCNH2GPR119SLC2A1MAPTAR
SCHEMBL5884333 0.86 KCNH2 (0.39) SMN1; SMN2KCNH2GPR119MAPTACHE
SCHEMBL5884689 0.86 KCNH2 (0.39) SMN1; SMN2KCNH2GPR119MAPTACHE
SCHEMBL5884227 0.85 NR1I2 (0.35) KCNH2GPR119SLC2A1MAPTAR
SCHEMBL5884628 0.85 GPR119 (0.37) SMN1; SMN2KCNH2GPR119MAPTACHE
SCHEMBL5884253 0.84 KMT2A (0.40) SMN1; SMN2KCNH2GPR119MAPTKMT2A
SCHEMBL5883827 0.84 KMT2A (0.40) SMN1; SMN2KCNH2GPR119MAPTKMT2A
SCHEMBL5884209 0.83 KCNH2 (0.38) KCNH2GPR119MAPTACHEKMT2A
SCHEMBL5884916 0.83 SMN1; SMN2 (0.45) SMN1; SMN2GPR119MAPTKMT2AL3MBTL1

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