SCHEMBL13870533

SCHEMBL13870533

O=C(O)CCN1CCC(=C2c3ccccc3COc3ccc(CO)cc32)CC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.47
HRH1 P35367 7/20 0.42
TBXA2R P21731 2/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
AKR1B1 P15121 1/20 0.40
LMNA P02545 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
HIF1A Q16665 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40

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
SCHEMBL13870558 0.92 KCNH2 (0.46) KCNH2HRH1TBXA2RADRA1DADRA1A
SCHEMBL13870537 0.89 KCNH2 (0.45) KCNH2HRH1ADRA1DADRA1AADRA1B
SCHEMBL9718791 0.87 KCNH2 (0.56) KCNH2HRH1AKR1B1LMNAALDH1A1
SCHEMBL14307767 0.84 ALDH1A1 (0.51) KCNH2HRH1TBXA2RLMNAALDH1A1
SCHEMBL13870534 0.83 KCNH2 (0.68) KCNH2HRH1TBXA2RLMNA
Hydrochloric Acid SCHEMBL3139244 0.83 KCNH2 (0.46) KCNH2HRH1LMNA
SCHEMBL3131124 0.81 HRH1 (0.57) KCNH2HRH1TBXA2RADRA1DADRA1A
SCHEMBL13870556 0.81 KCNH2 (0.43) KCNH2HRH1ADRA1DADRA1AADRA1B
SCHEMBL9718719 0.81 KCNH2 (0.54) KCNH2HRH1MAPT
Hydrochloric Acid SCHEMBL9718768 0.80 KCNH2 (0.53) KCNH2HRH1MAPT

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