SCHEMBL2960049

SCHEMBL2960049

COc1ccc(CCO[C@H]2[CH]CCCC2)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.51
KCNA5 P22460 5/20 0.50
SCN5A Q14524 5/20 0.50
KCND2 Q9NZV8 5/20 0.50
KCNH2 Q12809 1/20 0.50
ATM Q13315 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
EPHX1 P07099 1/20 0.44
SIGMAR1 Q99720 1/20 0.43
POLB P06746 1/20 0.43
CYP19A1 P11511 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
RECQL P46063 1/20 0.43
CA2 P00918 1/20 0.42
MAPK1 P28482 1/20 0.42
BLM P54132 1/20 0.42

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
SCHEMBL5981279 0.92 SLC6A4 (0.44) SLC6A4KCNA5SCN5AKCND2KCNH2
SCHEMBL2957032 0.91 SLC6A4 (0.43) SLC6A4KCNA5SCN5AKCND2KCNH2
SCHEMBL2632456 0.83 SLC6A4 (0.55) SLC6A4KCNA5SCN5AKCND2KCNH2
Hydrochloric Acid SCHEMBL1762230 0.82 KCNA5 (0.56) SLC6A4KCNA5SCN5AKCND2KCNH2
SCHEMBL12122823 0.77 SLC6A4 (0.61) SLC6A4KCNA5SCN5AKCND2KCNH2
SCHEMBL12122820 0.77 SLC6A4 (0.61) SLC6A4KCNA5SCN5AKCND2KCNH2
SCHEMBL12122818 0.77 SLC6A4 (0.61) SLC6A4KCNA5SCN5AKCND2KCNH2
SCHEMBL14390513 0.77 SLC6A4 (0.61) SLC6A4KCNA5SCN5AKCND2KCNH2
SCHEMBL14886381 0.77 SLC6A4 (0.61) SLC6A4KCNA5SCN5AKCND2KCNH2
SCHEMBL670771 0.76 SLC6A4 (0.60) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7767830-B2 Aminocyclohexyl ether compounds and uses thereof CARDIOME PHARMA CORP. (CA) 2010-08-03 US disclosed