SCHEMBL13870534

SCHEMBL13870534

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

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.68
HRH1 P35367 4/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 2/20 0.39
DRD2 P14416 1/20 0.39
TBXA2R P21731 1/20 0.39
LMNA P02545 1/20 0.38
PTAFR P25105 1/20 0.38

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
SCHEMBL13870552 0.93 KCNH2 (0.66) KCNH2HRH1HTR2AHTR2CDRD2
SCHEMBL13870535 0.90 KCNH2 (0.56) KCNH2HRH1PTAFR
SCHEMBL13964319 0.89 KCNH2 (0.77) KCNH2HRH1HTR2AHTR2CDRD2
SCHEMBL13870485 0.88 KCNH2 (0.81) KCNH2HRH1HTR2AHTR2CDRD2
SCHEMBL14318737 0.86 KCNH2 (0.67) KCNH2HRH1HTR2AHTR2CDRD2
SCHEMBL13870533 0.83 KCNH2 (0.47) KCNH2HRH1TBXA2RLMNA
SCHEMBL13870560 0.83 KCNH2 (0.54) KCNH2
SCHEMBL13870501 0.83 KCNH2 (0.82) KCNH2HRH1HTR2AHTR2CDRD2
SCHEMBL13939616 0.82 KCNH2 (0.70) KCNH2HRH1HTR2AHTR2CDRD2
SCHEMBL13870567 0.82 KCNH2 (0.60) 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 8 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-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-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