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Sugi Predict / Compounds / SCHEMBL13870542

SCHEMBL13870542

SCHEMBL13870542

CCOC(=O)N1CCC(=C2c3ccccc3COc3ccc(CCO)cc32)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH1 P35367 3/20 0.52
▸ MAPT P10636 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ RXFP1 Q9HBX9 1/20 0.49
▸ NPC1 O15118 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ LMNA P02545 2/20 0.45
▸ KCNH2 Q12809 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ CACNA1F O60840 1/20 0.45
▸ NR1I2 O75469 1/20 0.45
▸ GMNN O75496 1/20 0.45
▸ USP2 O75604 1/20 0.45
▸ ABCB11 O95342 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ CHRM2 P08172 1/20 0.45
▸ ABCB1 P08183 1/20 0.45

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
SCHEMBL13870522 0.92 HRH1 (0.53) HRH1MAPTKDM4EALDH1A1GAA
SCHEMBL9718766 0.86 HRH1 (0.61) HRH1MAPTKDM4EALDH1A1GAA
SCHEMBL13870556 0.81 KCNH2 (0.43) HRH1KCNH2
SCHEMBL13888661 0.81 SLC6A15 (0.53) HRH1MAPTNPC1RAB9ALMNA
SCHEMBL13870504 0.81 KCNH2 (0.55) HRH1MAPTKDM4EALDH1A1GAA
SCHEMBL13870558 0.81 KCNH2 (0.46) HRH1KCNH2TBXA2R
SCHEMBL13870552 0.80 KCNH2 (0.66) HRH1KCNH2HTR2A
SCHEMBL13870560 0.80 KCNH2 (0.54) KDM4EALDH1A1GAAHPGDKCNH2
SCHEMBL13870466 0.80 SLC6A15 (0.62) HRH1MAPTKDM4EALDH1A1GAA
SCHEMBL12065130 0.79 KCNH2 (0.57) HRH1MAPTKDM4EALDH1A1GAA

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