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SCHEMBL13870568

SCHEMBL13870568

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 4/20 0.49
▸ HRH1 P35367 11/20 0.40
▸ SLC6A15 Q9H2J7 4/20 0.37
▸ HTR2A P28223 2/20 0.36
▸ FNTA P49354 4/20 0.36
▸ FNTB P49356 4/20 0.36
▸ MEN1 O00255 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ CACNA1F O60840 1/20 0.34
▸ NR1I2 O75469 1/20 0.34
▸ GMNN O75496 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ ABCB11 O95342 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ CHRM2 P08172 1/20 0.34
▸ ABCB1 P08183 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ ADORA3 P0DMS8 1/20 0.34
▸ CYP2C8 P10632 1/20 0.34

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
SCHEMBL13870567 0.91 KCNH2 (0.60) KCNH2HRH1HTR2AFNTAFNTB
SCHEMBL13870560 0.90 KCNH2 (0.54) KCNH2TSHRMAPK1
SCHEMBL13870478 0.87 KCNH2 (0.65) KCNH2HRH1SLC6A15HTR2AFNTA
SCHEMBL13870597 0.85 KCNH2 (0.52) KCNH2HRH1HTR2AMEN1LMNA
SCHEMBL13870535 0.83 KCNH2 (0.56) KCNH2HRH1TSHRMAPK1
SCHEMBL13870591 0.83 KCNH2 (0.51) KCNH2HRH1HTR2AMEN1LMNA
SCHEMBL13870552 0.81 KCNH2 (0.66) KCNH2HRH1HTR2A
SCHEMBL13870475 0.78 KCNH2 (0.56) KCNH2HRH1SLC6A15FNTAFNTB
SCHEMBL13870569 0.78 HRH1 (0.43) KCNH2HRH1SLC6A15HTR2AFNTA
SCHEMBL13870497 0.78 KCNH2 (0.67) KCNH2HRH1HTR2ANPC1LMNA

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