SCHEMBL13870535

SCHEMBL13870535

COC(=O)C(C)(C)CN1CCC(=C2c3ccccc3COc3ccc(CO)cc32)CC1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.56
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
ATM Q13315 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PARP1 P09874 1/20 0.37
HRH1 P35367 1/20 0.36
PTAFR P25105 1/20 0.36

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
SCHEMBL13870560 0.93 KCNH2 (0.54) KCNH2KDM4EALDH1A1GLAGAA
SCHEMBL13870597 0.91 KCNH2 (0.52) KCNH2KDM4EALDH1A1GLAGAA
SCHEMBL13870534 0.90 KCNH2 (0.68) KCNH2HRH1PTAFR
SCHEMBL13870483 0.89 KCNH2 (0.66) KCNH2KDM4EALDH1A1GLAGAA
SCHEMBL13870497 0.84 KCNH2 (0.67) KCNH2KDM4EALDH1A1GLAGAA
SCHEMBL13870537 0.84 KCNH2 (0.45) KCNH2KDM4EALDH1A1GLAGAA
SCHEMBL13870591 0.83 KCNH2 (0.51) KCNH2KDM4EALDH1A1GLAGAA
SCHEMBL13870568 0.83 KCNH2 (0.49) KCNH2TSHRMAPK1HRH1
SCHEMBL13870552 0.83 KCNH2 (0.66) KCNH2HRH1
SCHEMBL13888618 0.82 KCNH2 (0.43) KCNH2KDM4EALDH1A1GLAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7524864-B2 Methods of treating sleep disorders HYPNION, INC. (US) 2009-04-28 US disclosed
US-7482460-B2 Doxepin analogs and methods of use thereof HYPNION, INC. (US) 2009-01-27 US disclosed
US-7482460-B2 Doxepin analogs and methods of use thereof HYPNION, INC. (US) 2009-01-27 US disclosed
US-7411069-B2 Doxepin analogs and methods of use thereof HYPNION, INC. (US) 2008-08-12 US disclosed
US-7411069-B2 Doxepin analogs and methods of use thereof HYPNION, INC. (US) 2008-08-12 US disclosed
US-7355042-B2 Treatment of CNS disorders using CNS target modulators HYPNION, INC. (US) 2008-04-08 US disclosed
US-7355042-B2 Treatment of CNS disorders using CNS target modulators HYPNION, INC. (US) 2008-04-08 US disclosed
US-7326721-B2 Doxepin analogs and methods of use thereof HYPNION, INC. (US) 2008-02-05 US disclosed
US-7326721-B2 Doxepin analogs and methods of use thereof HYPNION, INC. (US) 2008-02-05 US disclosed
US-7317026-B2 Sleep disorders; side effect reduction ; antihistamine antagonist HYPNION, INC. (US) 2008-01-08 US disclosed
US-7189757-B2 Treatment of sleep disorders using CNS target modulators HYPNION, INC. (US) 2007-03-13 US disclosed
US-7189757-B2 Treatment of sleep disorders using CNS target modulators HYPNION, INC. (US) 2007-03-13 US disclosed