SCHEMBL5884955

SCHEMBL5884955

CCON=Cc1ccc(OCCCC2CCN(c3cccnn3)CC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.40
NPY1R P25929 1/20 0.40
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
GAA P10253 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
HPGD P15428 1/20 0.34
HRH3 Q9Y5N1 4/20 0.34
OPRK1 P41145 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GLS O94925 3/20 0.33
ACHE P22303 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 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
SCHEMBL5884766 0.95 NPY1R (0.41) KCNH2NPY1RKMT2AMEN1GAA
SCHEMBL5884217 0.91 NPY1R (0.34) KCNH2NPY1RKMT2AMEN1GAA
SCHEMBL5884512 0.90 NPY1R (0.37) NPY1RKMT2AMEN1GAAL3MBTL1
SCHEMBL5884090 0.90 NPY1R (0.44) KCNH2NPY1RGAAOPRK1SMN1; SMN2
SCHEMBL5884353 0.87 KCNH2 (0.39) KCNH2KMT2AMEN1L3MBTL1HPGD
SCHEMBL5884554 0.85 MEN1 (0.39) KCNH2KMT2AMEN1L3MBTL1HRH3
SCHEMBL5884317 0.83 SLC6A2 (0.43) KCNH2NPY1RKMT2AMEN1GAA
SCHEMBL5884689 0.82 KCNH2 (0.39) KCNH2KMT2AMEN1GAAL3MBTL1
SCHEMBL5884333 0.82 KCNH2 (0.39) KCNH2KMT2AMEN1GAAL3MBTL1
SCHEMBL5884914 0.81 NPY1R (0.38) KCNH2NPY1RGAASMN1; SMN2GLS

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