SCHEMBL13870567

SCHEMBL13870567

CC(C)(CN1CCC(=C2c3ccc(Cl)cc3COc3ccc(CCO)cc32)CC1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.60
HRH1 P35367 13/20 0.45
HTR2A P28223 6/20 0.44
HTR2C P28335 3/20 0.42
FNTA P49354 2/20 0.37
FNTB P49356 2/20 0.37

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
SCHEMBL13870568 0.91 KCNH2 (0.49) KCNH2HRH1HTR2AFNTAFNTB
SCHEMBL13870552 0.90 KCNH2 (0.66) KCNH2HRH1HTR2AHTR2C
SCHEMBL13870479 0.86 KCNH2 (0.80) KCNH2HRH1HTR2AHTR2CFNTA
SCHEMBL13964319 0.83 KCNH2 (0.77) KCNH2HRH1HTR2AHTR2C
SCHEMBL13870534 0.82 KCNH2 (0.68) KCNH2HRH1HTR2AHTR2C
SCHEMBL13939616 0.82 KCNH2 (0.70) KCNH2HRH1HTR2AHTR2C
SCHEMBL13870560 0.80 KCNH2 (0.54) KCNH2
SCHEMBL13870600 0.80 KCNH2 (0.61) KCNH2HRH1HTR2AHTR2C
SCHEMBL13939743 0.79 KCNH2 (0.66) KCNH2HRH1HTR2AHTR2CFNTA
SCHEMBL13939795 0.79 KCNH2 (0.61) KCNH2HRH1HTR2AHTR2C

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 14 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-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-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