SCHEMBL5884628

SCHEMBL5884628

CCON=Cc1ccc(OCCC2CCN(c3ccc(CO)nn3)CC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.37
KCNH2 Q12809 2/20 0.36
TEAD1 P28347 1/20 0.33
TEAD3 Q99594 1/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ACHE P22303 1/20 0.33
GAA P10253 1/20 0.33
ACACB O00763 1/20 0.32
HPGD P15428 1/20 0.32
NOTUM Q6P988 1/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL5884689 0.89 KCNH2 (0.39) GPR119KCNH2TEAD1TEAD3MAPT
SCHEMBL5884333 0.89 KCNH2 (0.39) GPR119KCNH2TEAD1TEAD3MAPT
SCHEMBL5885023 0.87 KCNH2 (0.37) GPR119KCNH2TEAD1TEAD3MAPT
SCHEMBL5883827 0.87 KMT2A (0.40) GPR119KCNH2MAPTKMT2AMEN1
SCHEMBL5884253 0.87 KMT2A (0.40) GPR119KCNH2MAPTKMT2AMEN1
SCHEMBL5884209 0.85 KCNH2 (0.38) GPR119KCNH2TEAD1TEAD3MAPT
SCHEMBL5884360 0.85 MAPT (0.36) GPR119KCNH2MAPTKMT2AL3MBTL1
SCHEMBL5884547 0.85 KCNH2 (0.38) GPR119KCNH2TEAD1TEAD3MAPT
SCHEMBL5884736 0.85 SMN1; SMN2 (0.35) GPR119KCNH2MAPTKMT2AL3MBTL1
SCHEMBL5884598 0.84 KCNH2 (0.36) GPR119KCNH2TEAD1TEAD3MAPT

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