SCHEMBL5884766

SCHEMBL5884766

CCON=Cc1ccc(OCCC2CCN(c3cccnn3)CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 1/20 0.41
KCNH2 Q12809 2/20 0.39
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
GAA P10253 2/20 0.37
TEAD1 P28347 1/20 0.34
TEAD3 Q99594 1/20 0.34
GPR119 Q8TDV5 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HPGD P15428 2/20 0.34
ALDH1A1 P00352 1/20 0.34
GLS O94925 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
ACHE P22303 1/20 0.33
OPRK1 P41145 1/20 0.33

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
SCHEMBL5884955 0.95 KCNH2 (0.40) NPY1RKCNH2KMT2AMEN1GAA
SCHEMBL5884333 0.86 KCNH2 (0.39) KCNH2KMT2AMEN1GAATEAD1
SCHEMBL5884689 0.86 KCNH2 (0.39) KCNH2KMT2AMEN1GAATEAD1
SCHEMBL5884217 0.86 NPY1R (0.34) NPY1RKCNH2KMT2AMEN1GAA
SCHEMBL5884512 0.85 NPY1R (0.37) NPY1RKMT2AMEN1GAAGPR119
SCHEMBL5884090 0.85 NPY1R (0.44) NPY1RKCNH2GAASMN1; SMN2GLS
SCHEMBL5885023 0.85 KCNH2 (0.37) KCNH2KMT2ATEAD1TEAD3GPR119
SCHEMBL5883827 0.85 KMT2A (0.40) KCNH2KMT2AMEN1GPR119SMN1; SMN2
SCHEMBL5884253 0.85 KMT2A (0.40) KCNH2KMT2AMEN1GPR119SMN1; SMN2
SCHEMBL5884481 0.85 CTSS (0.39) KCNH2KMT2AMEN1GAATEAD1

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