SCHEMBL13870536

SCHEMBL13870536

OCc1ccc2c(c1)C(=C1CCNCC1)c1ccccc1CO2

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 4/20 0.40
HRH4 Q9H3N8 3/20 0.40
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
JAK2 O60674 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 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
SCHEMBL13870554 0.91 HRH1 (0.39) HRH1HRH4
SCHEMBL31350805 0.81 HRH1 (0.47) HRH1HRH4ALDH1A1MAPTRAB9A
SCHEMBL8317130 0.81 HRH1 (0.47) HRH1HRH4ALDH1A1MAPTRAB9A
Hydrochloric Acid SCHEMBL9718788 0.80 HRH1 (0.46) HRH1HRH4ALDH1A1MAPTRAB9A
SCHEMBL13870569 0.78 HRH1 (0.43) HRH1HRH4LMNA
SCHEMBL13870522 0.77 HRH1 (0.53) HRH1ALDH1A1MAPTRAB9ALMNA
SCHEMBL13870533 0.77 KCNH2 (0.47) HRH1ALDH1A1MAPTLMNAHTT
SCHEMBL1649504 0.76 AKR1B1 (0.45) HRH1ALDH1A1MAPTRAB9A
SCHEMBL13870535 0.75 KCNH2 (0.56) HRH1ALDH1A1
SCHEMBL13870534 0.75 KCNH2 (0.68) HRH1LMNA

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