SCHEMBL4603469

SCHEMBL4603469

COc1cc(CCOC2CCCCC2N2CC[C@@H](O)C2)ccc1O

nearest known ligand 0.84

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.84
KCNA5 P22460 6/20 0.83
SCN5A Q14524 6/20 0.83
KCND2 Q9NZV8 5/20 0.83
KCNH2 Q12809 1/20 0.83
TAAR1 Q96RJ0 2/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
LMNA P02545 1/20 0.41
GLA P06280 1/20 0.41
TMEM97 Q5BJF2 2/20 0.41
SIGMAR1 Q99720 2/20 0.41
PTPN1 P18031 1/20 0.41
KDM4E B2RXH2 1/20 0.40
TRPV6 Q9H1D0 1/20 0.39
PDE4B Q07343 1/20 0.39
ADRB2 P07550 1/20 0.39

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
SCHEMBL12327983 1.00 SLC6A4 (0.84) SLC6A4KCNA5SCN5AKCND2KCNH2
SCHEMBL410072 1.00 SLC6A4 (0.84) SLC6A4KCNA5SCN5AKCND2KCNH2
SCHEMBL12296102 1.00 SLC6A4 (0.84) SLC6A4KCNA5SCN5AKCND2KCNH2
SCHEMBL12122779 1.00 SLC6A4 (0.84) SLC6A4KCNA5SCN5AKCND2KCNH2
SCHEMBL13097960 1.00 SLC6A4 (0.84) SLC6A4KCNA5SCN5AKCND2KCNH2
SCHEMBL14390503 1.00 SLC6A4 (0.84) SLC6A4KCNA5SCN5AKCND2KCNH2
SCHEMBL14851637 1.00 SLC6A4 (0.84) SLC6A4KCNA5SCN5AKCND2KCNH2
Hydrochloric Acid SCHEMBL4976420 0.99 KCNA5 (0.85) SLC6A4KCNA5SCN5AKCND2KCNH2
Hydrochloric Acid SCHEMBL3029532 0.99 KCNA5 (0.85) SLC6A4KCNA5SCN5AKCND2KCNH2
SCHEMBL12327948 0.92 SLC6A4 (0.84) SLC6A4KCNA5SCN5AKCND2KCNH2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7786119-B2 Drug conjugates of ion channel modulating compounds CARDIOME PHARMA CORP. (CA) 2010-08-31 US disclosed
EP-1915340-A2 SYNTHETIC PROCESSES FOR THE PREPARATION OF AMINOCYCLOHEXYL ETHER COMPOUNDS Cardiome Pharma Corp. (CA) 2008-04-30 EP disclosed
WO-2006138673-A2 SYNTHETIC PROCESSES FOR THE PREPARATION OF AMINOCYCLOHEXYL ETHER COMPOUNDS CARDIOME PHARMA CORP. (CA) 2006-12-28 WO disclosed