SCHEMBL5884689

SCHEMBL5884689

CCO/N=C/c1ccc(OCCC2CCN(c3ccc(C)nn3)CC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.39
GPR119 Q8TDV5 2/20 0.37
NR1I2 O75469 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
KMT2A Q03164 3/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 1/20 0.33
TEAD1 P28347 1/20 0.33
TEAD3 Q99594 1/20 0.33
HPGD P15428 2/20 0.33
MEN1 O00255 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
OPRK1 P41145 1/20 0.33
ACHE P22303 1/20 0.33
GAA P10253 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
SCHEMBL5884333 1.00 KCNH2 (0.39) KCNH2GPR119NR1I2L3MBTL1KMT2A
SCHEMBL5884353 0.95 KCNH2 (0.39) KCNH2GPR119NR1I2L3MBTL1KMT2A
SCHEMBL14191686 0.94 NR1I2 (0.38) KCNH2GPR119NR1I2L3MBTL1KMT2A
SCHEMBL5884287 0.93 L3MBTL1 (0.37) KCNH2GPR119NR1I2L3MBTL1KMT2A
SCHEMBL5884831 0.91 TEAD1 (0.36) KCNH2GPR119NR1I2L3MBTL1MAPT
SCHEMBL5883827 0.90 KMT2A (0.40) KCNH2GPR119L3MBTL1KMT2AMAPT
SCHEMBL5885023 0.90 KCNH2 (0.37) KCNH2GPR119L3MBTL1KMT2AMAPT
SCHEMBL5884253 0.90 KMT2A (0.40) KCNH2GPR119L3MBTL1KMT2AMAPT
SCHEMBL5884133 0.90 NR1I2 (0.36) KCNH2GPR119NR1I2L3MBTL1MAPT
SCHEMBL5884829 0.90 L3MBTL1 (0.36) KCNH2GPR119NR1I2L3MBTL1KMT2A

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 disclosed