SCHEMBL5884353

SCHEMBL5884353

CCON=Cc1ccc(OCCCC2CCN(c3ccc(C)nn3)CC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.37
NR1I2 O75469 1/20 0.36
MAPT P10636 3/20 0.36
GPR119 Q8TDV5 3/20 0.35
KMT2A Q03164 3/20 0.34
HRH3 Q9Y5N1 1/20 0.34
OPRK1 P41145 2/20 0.34
HPGD P15428 1/20 0.33
MEN1 O00255 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL5884689 0.95 KCNH2 (0.39) KCNH2L3MBTL1NR1I2MAPTGPR119
SCHEMBL5884333 0.95 KCNH2 (0.39) KCNH2L3MBTL1NR1I2MAPTGPR119
SCHEMBL5884514 0.92 NR1I2 (0.35) KCNH2L3MBTL1NR1I2MAPTGPR119
SCHEMBL5884554 0.90 MEN1 (0.39) KCNH2L3MBTL1MAPTKMT2AHRH3
SCHEMBL5884356 0.90 HRH3 (0.38) L3MBTL1NR1I2MAPTGPR119HRH3
SCHEMBL14191686 0.89 NR1I2 (0.38) KCNH2L3MBTL1NR1I2MAPTGPR119
SCHEMBL5883890 0.89 DGAT1 (0.35) KCNH2OPRK1
SCHEMBL5884287 0.88 L3MBTL1 (0.37) KCNH2L3MBTL1NR1I2MAPTGPR119
SCHEMBL5884955 0.87 KCNH2 (0.40) KCNH2L3MBTL1MAPTKMT2AHRH3
SCHEMBL5884831 0.87 TEAD1 (0.36) KCNH2L3MBTL1NR1I2MAPTGPR119

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